AKR1B1

Reference Set (66 Compounds)

O=C(O)Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 ZINC000000021188

ZINC000000021188 (search)

O=C(O)Cc1cc(Cl)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 ZINC000029409422

ZINC000029409422 (search)

O=C(O)CN(C(=O)CCc1nc2c(F)c(F)cc(F)c2s1)c1ccccc1 ZINC000001485633

ZINC000001485633 (search)

O=C(O)CN(C(=S)CCc1nc2c(F)c(F)cc(F)c2s1)c1ccccc1 ZINC000029407749

ZINC000029407749 (search)

O=C(O)Cc1cc(Cc2nc3c(F)c(F)cc(F)c3s2)cc(C(=O)O)c1 ZINC000029405141

ZINC000029405141 (search)

O=C(O)Cc1cc(F)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 ZINC000029413285

ZINC000029413285 (search)

O=C(O)Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1Cl ZINC000001485636

ZINC000001485636 (search)

O=C(O)Cc1cc(Br)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 ZINC000029414165

ZINC000029414165 (search)

O=C(O)C[C@@H]1Sc2ccccc2N(Cc2nc3c(F)c(F)cc(F)c3s2)C1=O ZINC000003777496

ZINC000003777496 (search)

Cc1cc(CC(=O)O)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 ZINC000003814349

ZINC000003814349 (search)

O=C(O)CN(Cc1ccccc1)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1 ZINC000029405294

ZINC000029405294 (search)

O=C(O)Cc1cc(I)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 ZINC000029406751

ZINC000029406751 (search)

CN(CC(=O)O)C(=S)CCc1nc2c(F)c(F)cc(F)c2s1 ZINC000029410214

ZINC000029410214 (search)

O=C(O)Cn1c(=O)n(Cc2ccc(Br)cc2F)c(=O)c2ccc(Cl)cc21 ZINC000000596737

ZINC000000596737 (search)

CN(C)c1cc(CC(=O)O)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 ZINC000001485637

ZINC000001485637 (search)

CN(CC(=O)O)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1 ZINC000029410577

ZINC000029410577 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cccn12 ZINC000000598422

ZINC000000598422 (search)

COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F ZINC000003780343

ZINC000003780343 (search)

O=C(O)Cc1ccccc1Cc1nc2c(F)c(F)cc(F)c2s1 ZINC000029409223

ZINC000029409223 (search)

O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12 ZINC000000538211

ZINC000000538211 (search)

O=C(O)CN(CCc1ccccc1)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1 ZINC000029404547

ZINC000029404547 (search)

O=C1C[C@]2(C(=O)N1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccn12 ZINC000000606113

ZINC000000606113 (search)

O=C(O)CN(Cc1ccccc1)C(=S)CCc1nc2c(F)c(F)cc(F)c2s1 ZINC000029403698

ZINC000029403698 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1cccc(Cl)c1)C(=O)c1cccn12 ZINC000013781447

ZINC000013781447 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccc(Cl)n12 ZINC000013781477

ZINC000013781477 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccccc1Cl)C(=O)c1cccn12 ZINC000013781445

ZINC000013781445 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1cccc(Br)c1)C(=O)c1cccn12 ZINC000013781453

ZINC000013781453 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Cl)cc1)C(=O)c1cccn12 ZINC000013781449

ZINC000013781449 (search)

O=C(O)Cc1ccc(Cc2nc3c(F)c(F)cc(F)c3s2)cc1 ZINC000029407752

ZINC000029407752 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccc(Br)n12 ZINC000013781479

ZINC000013781479 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Cl)cc1F)C(=O)c1cccn12 ZINC000000606115

ZINC000000606115 (search)

COc1ccc(CN2C(=O)c3cccn3[C@@]3(CC(=O)NC3=O)C2=O)cc1 ZINC000013781457

ZINC000013781457 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1)C(=O)c1cccn12 ZINC000000606114

ZINC000000606114 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cc(Cl)cn12 ZINC000013781471

ZINC000013781471 (search)

O=C(O)CCCCCc1nc2c(F)c(F)cc(F)c2s1 ZINC000029402640

ZINC000029402640 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccccc1Br)C(=O)c1cccn12 ZINC000013781451

ZINC000013781451 (search)

Cc1ccc(CN2C(=O)c3cccn3[C@@]3(CC(=O)NC3=O)C2=O)cc1 ZINC000013781455

ZINC000013781455 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cc(Br)c(Br)n12 ZINC000027412462

ZINC000027412462 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccccc1F)C(=O)c1cccn12 ZINC000013781441

ZINC000013781441 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(F)cc1F)C(=O)c1cccn12 ZINC000013781469

ZINC000013781469 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccn12 ZINC000013781459

ZINC000013781459 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccccc1)C(=O)c1cccn12 ZINC000013781437

ZINC000013781437 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cc(Br)cn12 ZINC000013781473

ZINC000013781473 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccn12 ZINC000013781461

ZINC000013781461 (search)

COc1ccc(CN2C(=O)c3cccn3[C@@]3(CC(=O)NC3=O)C2=O)cc1OC ZINC000013781467

ZINC000013781467 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000013781443

ZINC000013781443 (search)

O=C(O)C[C@@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn21 ZINC000013781423

ZINC000013781423 (search)

O=C(O)CC[C@@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cccn21 ZINC000013781427

ZINC000013781427 (search)

Nc1ccc(CN2C(=O)c3cccn3[C@@]3(CC(=O)NC3=O)C2=O)cc1 ZINC000013781463

ZINC000013781463 (search)

O=C(O)C[C@@H]1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2cccn21 ZINC000013781425

ZINC000013781425 (search)

O=C1C[C@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cccn12 ZINC000000598588

ZINC000000598588 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(c1ccccc1)C(=O)c1cccn12 ZINC000013781435

ZINC000013781435 (search)

CC(=O)c1cc2n(c1)[C@]1(CC(=O)NC1=O)C(=O)N(Cc1ccc(Br)cc1F)C2=O ZINC000013781475

ZINC000013781475 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)N(CCc1ccccc1)C(=O)c1cccn12 ZINC000013781439

ZINC000013781439 (search)

CN1C(=O)c2cccn2[C@@]2(CC(=O)NC2=O)C1=O ZINC000013781433

ZINC000013781433 (search)

COc1ccc(CN2C(=O)c3cccn3[C@@]3(CC(=O)NC3=O)C2=O)c(OC)c1 ZINC000013781465

ZINC000013781465 (search)

O=C1C[C@@]2(C(=O)N1)C(=O)NC(=O)c1cccn12 ZINC000013781431

ZINC000013781431 (search)

O=C(O)CC[C@@H]1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2cccn21 ZINC000013781429

ZINC000013781429 (search)

CN(CC(=O)O)C(=O)c1ccc[nH]1 ZINC000013781422

ZINC000013781422 (search)

O=C(O)CCC(=O)n1ccc2c(O)cccc21 ZINC000013531127

ZINC000013531127 (search)

CN1CC(=O)n2cccc2C1=O ZINC000013781421

ZINC000013781421 (search)

COc1cc(-c2oc3cc(OS(=O)(=O)O)cc(O)c3c(=O)c2OS(=O)(=O)O)ccc1O ZINC000013508123

ZINC000013508123 (search)

COc1ccc(-c2oc3cc(OS(=O)(=O)O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O ZINC000044361784

ZINC000044361784 (search)

O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1 ZINC000000002070

ZINC000000002070 (search)

NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 ZINC000003789766

ZINC000003789766 (search)

O=C(O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000005224053

ZINC000005224053 (search)