ALDH2

Reference Set (105 Compounds)

O=C(O)CCCCCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013834850

ZINC000013834850 (search)

O=C(O)CCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864229

ZINC000013864229 (search)

O=c1c(-c2ccc(O)cc2)coc2cc(OCCOCCOCCO)ccc12 ZINC000013864236

ZINC000013864236 (search)

O=C(O)CCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013834848

ZINC000013834848 (search)

O=C(O)CCCCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013834849

ZINC000013834849 (search)

O=C(O)CCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013834847

ZINC000013834847 (search)

O=c1c(-c2ccc(O)cc2)coc2cc(OCCO)ccc12 ZINC000013864232

ZINC000013864232 (search)

CCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000002576403

ZINC000002576403 (search)

O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12 ZINC000004098610

ZINC000004098610 (search)

CC(C)Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864225

ZINC000013864225 (search)

O=C(O)CCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864228

ZINC000013864228 (search)

NCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864254

ZINC000013864254 (search)

O=c1c(-c2ccc(O)cc2)coc2cc(OC[C@H](O)CO)ccc12 ZINC000013834854

ZINC000013834854 (search)

O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCCCO)ccc12 ZINC000013864233

ZINC000013864233 (search)

O=C(O)CCCCCCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864230

ZINC000013864230 (search)

CCOC(=O)COc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864237

ZINC000013864237 (search)

CC1=C(c2ccccc2)C(=O)O[C@@H]2C[C@H](Cl)CC[C@H]12 ZINC000002172760

ZINC000002172760 (search)

C=CCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864240

ZINC000013864240 (search)

C=CCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013834853

ZINC000013834853 (search)

CCOC(=O)CCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864238

ZINC000013864238 (search)

NCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864253

ZINC000013864253 (search)

CCOC(=O)CCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864239

ZINC000013864239 (search)

CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864247

ZINC000013864247 (search)

O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCCCCCCO)ccc12 ZINC000013864234

ZINC000013864234 (search)

CCCC[C@@H](Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1)C(=O)O ZINC000013864243

ZINC000013864243 (search)

O=C(O)COc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864227

ZINC000013864227 (search)

O=c1cc(-c2ccccc2)c2ccc(O)cc2o1 ZINC000000162733

ZINC000000162733 (search)

Cc1ccc2c(c1)OC(=O)C[C@H]2c1ccccc1 ZINC000000177887

ZINC000000177887 (search)

CCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864226

ZINC000013864226 (search)

O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCCCCCCCCCO)ccc12 ZINC000013864235

ZINC000013864235 (search)

CCCCCC[C@@H](Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1)C(=O)O ZINC000013864245

ZINC000013864245 (search)

C[C@@H](Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1)C(=O)O ZINC000013864241

ZINC000013864241 (search)

O=C(O)CCCCCOc1ccc2c(=O)cc(-c3ccc(O)cc3)oc2c1 ZINC000013864265

ZINC000013864265 (search)

CCCC[C@@H](Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1)C(=O)OCC ZINC000013864249

ZINC000013864249 (search)

O=C(/C=C/c1ccccc1)c1ccc(O)cc1 ZINC000004175523

ZINC000004175523 (search)

CCCCCC[C@@H](Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1)C(=O)OCC ZINC000013864251

ZINC000013864251 (search)

O=c1c(-c2ccc(O)cc2)coc2cc(OCCCBr)ccc12 ZINC000002576376

ZINC000002576376 (search)

O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCBr)ccc12 ZINC000013834851

ZINC000013834851 (search)

O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCCCBr)ccc12 ZINC000013834852

ZINC000013834852 (search)

O=c1c(-c2ccc(O)cc2)coc2cc(OCCC3OCCCO3)ccc12 ZINC000002576398

ZINC000002576398 (search)

O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12 ZINC000018847034

ZINC000018847034 (search)

CN(C(=O)OC(C)(C)C)C1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)CC1 ZINC000144755050

ZINC000144755050 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)C5CCC5)C4)ccc3c2=O)cc1 ZINC000169700868

ZINC000169700868 (search)

Cn1cncc1C#Cc1ccc2c(=O)c(-c3ccc(CNS(C)(=O)=O)cc3)coc2c1 ZINC000473214440

ZINC000473214440 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)C5CC5)C4)ccc3c2=O)cc1 ZINC000169700849

ZINC000169700849 (search)

CC1(O)CC(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)C1 ZINC000169700860

ZINC000169700860 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)[C@@H]5CC5(F)F)C4)ccc3c2=O)cc1 ZINC000169700866

ZINC000169700866 (search)

CC(C)(C)OC(=O)NC1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)CC1 ZINC000169700871

ZINC000169700871 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)C5CC(F)(F)C5)C4)ccc3c2=O)cc1 ZINC000169700857

ZINC000169700857 (search)

CC1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)COC1 ZINC000169700862

ZINC000169700862 (search)

CC1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)CC1 ZINC000169700869

ZINC000169700869 (search)

CC(C)(C)OC(=O)NC1(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)CCC1 ZINC000169700870

ZINC000169700870 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CCN(C(=O)C5CC5)CC4)ccc3c2=O)cc1 ZINC000169700851

ZINC000169700851 (search)

CC(C)n1cncc1C#Cc1ccc2c(=O)c(-c3ccc(NS(C)(=O)=O)cc3)coc2c1 ZINC000142636221

ZINC000142636221 (search)

COCCC(=O)N1CC(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)C1 ZINC000169700856

ZINC000169700856 (search)

CC(C)(C)OC(=O)N1CC(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)C1 ZINC000169700847

ZINC000169700847 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#Cc4cc[nH]c(=O)c4)ccc3c2=O)cc1 ZINC000169700848

ZINC000169700848 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)OC5CCCC5)C4)ccc3c2=O)cc1 ZINC000169700853

ZINC000169700853 (search)

Cc1ncc(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)n1C ZINC000142644134

ZINC000142644134 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CN(C(=O)CO)C4)ccc3c2=O)cc1 ZINC000169700859

ZINC000169700859 (search)

C[C@@H](O)C(=O)N1CC(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)C1 ZINC000169700863

ZINC000169700863 (search)

CC(C)(O)C(=O)N1CC(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)C1 ZINC000169700861

ZINC000169700861 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#Cc4cccnc4)ccc3c2=O)cc1 ZINC000169700843

ZINC000169700843 (search)

Cc1cccc(Cl)c1C(=O)NCc1ccc(-c2cc[nH]c(=O)c2)cc1 ZINC000147256075

ZINC000147256075 (search)

O=C(NCc1ccc(-c2cc(=O)[nH]cc2F)cc1)c1c(Cl)cccc1Cl ZINC000147210895

ZINC000147210895 (search)

CN1CCC(C(=O)N2CC(C#Cc3ccc4c(=O)c(-c5ccc(NS(C)(=O)=O)cc5)coc4c3)C2)CC1 ZINC000169700865

ZINC000169700865 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CCOCC4)ccc3c2=O)cc1 ZINC000169700854

ZINC000169700854 (search)

COCC#Cc1ccc2c(=O)c(-c3ccc(NS(C)(=O)=O)cc3)coc2c1 ZINC000169700837

ZINC000169700837 (search)

O=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 ZINC000002941174

ZINC000002941174 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#Cc4cncnc4)ccc3c2=O)cc1 ZINC000169700842

ZINC000169700842 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CC4)ccc3c2=O)cc1 ZINC000169700833

ZINC000169700833 (search)

COCCOc1cc(Cl)c(C(=O)NCc2ccc(-c3cc[nH]c(=O)c3)cc2)c(Cl)c1 ZINC000147217223

ZINC000147217223 (search)

CN(C)CCC(=O)N1CC(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)C1 ZINC000169700858

ZINC000169700858 (search)

CC(C)(C)OC(=O)N1CCC(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)CC1 ZINC000169700846

ZINC000169700846 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#Cc4ccccn4)ccc3c2=O)cc1 ZINC000169700840

ZINC000169700840 (search)

Cn1cnc(C#Cc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)c1 ZINC000142636448

ZINC000142636448 (search)

COCC#Cc1ccc2c(=O)c(-c3ccc(NS(=O)(=O)C4CC4)cc3)coc2c1 ZINC000169700844

ZINC000169700844 (search)

O=C1C(=O)N(C/C=C/c2ccccc2)c2ccc(Cl)cc21 ZINC000019966934

ZINC000019966934 (search)

O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1c(Cl)cccc1Cl ZINC000147173151

ZINC000147173151 (search)

CC(C)CN1CC(C#Cc2ccc3c(=O)c(-c4ccc(CNS(C)(=O)=O)cc4)coc3c2)C1 ZINC000473220542

ZINC000473220542 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4(O)CCCC4)ccc3c2=O)cc1 ZINC000169700845

ZINC000169700845 (search)

Cc1cccc(C)c1C(=O)NCc1ccc(-c2cc[nH]c(=O)c2)cc1 ZINC000147216246

ZINC000147216246 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CCNCC4)ccc3c2=O)cc1 ZINC000169700850

ZINC000169700850 (search)

O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1cccc(F)c1Cl ZINC000147212589

ZINC000147212589 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4CNC4)ccc3c2=O)cc1 ZINC000169700852

ZINC000169700852 (search)

O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1F)c1c(Cl)cccc1Cl ZINC000147260082

ZINC000147260082 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#Cc4ccccc4)ccc3c2=O)cc1 ZINC000169700834

ZINC000169700834 (search)

O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1c(F)cccc1Cl ZINC000147269176

ZINC000147269176 (search)

CS(=O)(=O)NCc1ccc(-c2coc3cc(C#CC4(O)CCCC4)ccc3c2=O)cc1 ZINC000473220540

ZINC000473220540 (search)

O=C1C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 ZINC000002488440

ZINC000002488440 (search)

COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000018847044

ZINC000018847044 (search)

O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1c(F)ccc(F)c1Cl ZINC000147214713

ZINC000147214713 (search)

Cc1cc(CNC(=O)c2c(Cl)cccc2Cl)ccc1-c1cc[nH]c(=O)c1 ZINC000147245290

ZINC000147245290 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4(N)CCCCC4)ccc3c2=O)cc1 ZINC000169700839

ZINC000169700839 (search)

O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1c(F)cccc1F ZINC000147217426

ZINC000147217426 (search)

Cc1cc(Br)c2c(c1)C(=O)C(=O)N2 ZINC000002977810

ZINC000002977810 (search)

Cc1cc(-c2ccc(CNC(=O)c3c(Cl)cccc3Cl)cc2)cc(=O)[nH]1 ZINC000147210435

ZINC000147210435 (search)

O=C1C(=O)N(CCCc2ccccc2)c2ccccc21 ZINC000002983461

ZINC000002983461 (search)

CCCCCN1C(=O)C(=O)c2ccccc21 ZINC000001793680

ZINC000001793680 (search)

CS(=O)(=O)Nc1ccc(-c2coc3cc(C#CC4(O)CCCCC4)ccc3c2=O)cc1 ZINC000169700838

ZINC000169700838 (search)

Cn1ccc(-c2ccc(CNC(=O)c3c(Cl)cccc3Cl)cc2)cc1=O ZINC000147210236

ZINC000147210236 (search)

O=C1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 ZINC000001853557

ZINC000001853557 (search)

O=C1C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000002482985

ZINC000002482985 (search)

CC(C)(O)C#Cc1ccc2c(=O)c(-c3ccc(NS(C)(=O)=O)cc3)coc2c1 ZINC000169700835

ZINC000169700835 (search)

O=C1C(=O)N(CCc2ccccc2)c2ccccc21 ZINC000002268444

ZINC000002268444 (search)