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Q9H7Z7 | PGES2_HUMAN | Prostaglandin E synthase 2 (PTGES2)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL180650 OBDepict Cl N H 3 C CH 3 CH 3 O HO F CH 3 IC50 = 3.0 nM 540.08 Cc1ccccc1-c1ccc(-c2ccc3c(c2)c(C)c(CC(C)(C)C(=O)O)n3Cc2ccc(Cl)cc2)cc1F Homo sapiens CHEMBL829449 single protein format
CHEMBL180617 OBDepict Cl N CH 3 CH 3 H 3 C O OH F Cl IC50 = 4.0 nM 560.5 Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(-c4ccccc4Cl)c(F)c3)cc12 Homo sapiens CHEMBL829449 single protein format
CHEMBL369525 OBDepict CH 3 O F N H 3 C CH 3 CH 3 O HO Cl IC50 = 5.0 nM 556.08 COc1ccccc1-c1ccc(-c2ccc3c(c2)c(C)c(CC(C)(C)C(=O)O)n3Cc2ccc(Cl)cc2)cc1F Homo sapiens CHEMBL829449 single protein format
CHEMBL368241 OBDepict Cl N H 3 C CH 3 CH 3 O HO F O H 3 C IC50 = 6.0 nM 568.09 CC(=O)c1ccccc1-c1ccc(-c2ccc3c(c2)c(C)c(CC(C)(C)C(=O)O)n3Cc2ccc(Cl)cc2)cc1F Homo sapiens CHEMBL829449 single protein format
CHEMBL182032 OBDepict Cl N CH 3 CH 3 H 3 C O OH F IC50 = 7.0 nM 526.05 Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(-c4ccccc4)c(F)c3)cc12 Homo sapiens CHEMBL829449 single protein format
CHEMBL362836 OBDepict Cl N CH 3 CH 3 H 3 C O OH F F IC50 = 8.0 nM 544.04 Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(-c4ccccc4F)c(F)c3)cc12 Homo sapiens CHEMBL829449 single protein format
CHEMBL181728 OBDepict Cl N CH 3 CH 3 H 3 C O OH F N IC50 = 12.0 nM 527.04 Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(-c4cccnc4)c(F)c3)cc12 Homo sapiens CHEMBL829449 single protein format
CHEMBL362242 OBDepict Cl N CH 3 CH 3 H 3 C O OH IC50 = 16.0 nM 508.06 Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc12 Homo sapiens CHEMBL829449 single protein format
CHEMBL362675 OBDepict Cl N CH 3 CH 3 H 3 C O OH Cl IC50 = 22.0 nM 542.51 Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(-c4ccccc4)c(Cl)c3)cc12 Homo sapiens CHEMBL829449 single protein format
CHEMBL3962955 OBDepict CH 3 O N Cl S N H O O S O O H 2 N IC50 = 22.0 nM 453.93 COc1ncc(-c2cccc(S(=O)(=O)Nc3ccccc3S(N)(=O)=O)c2)cc1Cl Homo sapiens CHEMBL3887295 assay format
CHEMBL183596 OBDepict CH 3 F N H 3 C CH 3 CH 3 O HO Cl IC50 = 31.0 nM 540.08 Cc1ccc(-c2ccc(-c3ccc4c(c3)c(C)c(CC(C)(C)C(=O)O)n4Cc3ccc(Cl)cc3)cc2F)cc1 Homo sapiens CHEMBL829449 single protein format
CHEMBL3986331 OBDepict O S N H O S O O NH 2 N F F F IC50 = 31.0 nM 509.53 NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(C#Cc2ccc(C(F)(F)F)cc2)nc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL181792 OBDepict Cl N CH 3 CH 3 H 3 C O OH F N N IC50 = 32.0 nM 528.03 Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(-c4cnccn4)c(F)c3)cc12 Homo sapiens CHEMBL829449 single protein format
CHEMBL183878 OBDepict Cl N CH 3 CH 3 H 3 C O OH F CH 3 IC50 = 33.0 nM 540.08 Cc1cccc(-c2ccc(-c3ccc4c(c3)c(C)c(CC(C)(C)C(=O)O)n4Cc3ccc(Cl)cc3)cc2F)c1 Homo sapiens CHEMBL829449 single protein format
CHEMBL3904203 OBDepict CH 3 O Cl S N H O O S O O H 2 N IC50 = 36.0 nM 402.88 COc1cc(Cl)ccc1/C=C/S(=O)(=O)Nc1ccccc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3897379 OBDepict F NH S S O O NH 2 O O O IC50 = 40.0 nM 472.52 NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)/C=C/c1ccc(-c2cc3ccccc3o2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3961959 OBDepict HO S NH O O NH 2 S O O IC50 = 41.0 nM 462.59 NS(=O)(=O)c1cc(CO)ccc1NS(=O)(=O)CCc1ccc(C#CC2CCCC2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3943504 OBDepict O S NH O S O O NH 2 O IC50 = 44.0 nM 404.47 NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3943346 OBDepict O S N H O S O O H 2 N CH 3 H 3 C CH 3 IC50 = 55.0 nM 418.54 CC(C)(C)C#Cc1ccc(/C=C/S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3965498 OBDepict F S NH O O NH 2 S O O O IC50 = 57.0 nM 422.46 NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3966442 OBDepict Br S HN O O S O O H 2 N IC50 = 74.0 nM 417.31 NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(Br)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3968523 OBDepict F S NH O O NH 2 S O O O IC50 = 74.0 nM 472.52 NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(-c2cc3ccccc3o2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3930981 OBDepict OH S N H O O H 2 N S O O H 3 C H 3 C CH 3 IC50 = 75.0 nM 450.58 CC(C)(C)C#Cc1ccc(CCS(=O)(=O)Nc2ccc(CO)cc2S(N)(=O)=O)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3942994 OBDepict Cl Cl S HN O O S F O O H 2 N IC50 = 77.0 nM 425.29 NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3898952 OBDepict F S NH O O NH 2 S O O O IC50 = 79.0 nM 472.52 NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(-c2cc3ccccc3o2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3935976 OBDepict O S N H O S O O H 2 N CH 3 H 3 C CH 3 IC50 = 81.0 nM 420.56 CC(C)(C)C#Cc1ccc(CCS(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3951095 OBDepict F S N H O O NH 2 S O O IC50 = 84.0 nM 432.5 NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3957120 OBDepict F NH S S O O NH 2 O O IC50 = 91.0 nM 406.46 NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)/C=C/c1ccc2ccccc2c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3918947 OBDepict O S NH O S O O NH 2 IC50 = 97.0 nM 404.51 NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(C2=CCCC2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3946465 OBDepict O S N H O S O O NH 2 F F F IC50 = 100.0 nM 484.52 NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3908925 OBDepict F O F S N H O O S F O O H 2 N IC50 = 110.0 nM 422.41 NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(OC(F)F)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3941676 OBDepict F O F S N H O O S O O H 2 N IC50 = 110.0 nM 404.42 NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccccc1OC(F)F Homo sapiens CHEMBL3887295 assay format
CHEMBL3889985 OBDepict F NH S S O O NH 2 O O O IC50 = 120.0 nM 422.46 NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3907650 OBDepict F S N H O O NH 2 S O O IC50 = 130.0 nM 432.5 NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3951825 OBDepict Cl NH S S O O NH 2 O O Cl Cl IC50 = 130.0 nM 443.76 NS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)CCc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3903992 OBDepict CH 3 O Cl S N H O O S Cl O O H 2 N IC50 = 130.0 nM 439.34 COc1cc(Cl)ccc1CCS(=O)(=O)Nc1cc(Cl)ccc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3959989 OBDepict O S NH O S O O NH 2 O IC50 = 130.0 nM 456.55 NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(-c2cc3ccccc3o2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3975393 OBDepict F F O F F S N H O O S O O H 2 N IC50 = 130.0 nM 454.42 NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(OC(F)(F)C(F)F)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3906349 OBDepict O S NH O S O O NH 2 O IC50 = 140.0 nM 454.53 NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(-c2cc3ccccc3o2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3943912 OBDepict Br S HN O O S O O H 2 N IC50 = 140.0 nM 419.32 NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(Br)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3911159 OBDepict Cl F S NH O O NH 2 S O O Cl Cl IC50 = 150.0 nM 461.75 NS(=O)(=O)c1cc(Cl)c(F)cc1NS(=O)(=O)CCc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3891144 OBDepict F NH S S O O NH 2 O O IC50 = 160.0 nM 432.5 NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)/C=C/c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL180846 OBDepict Cl N CH 3 CH 3 H 3 C O OH IC50 = 160.0 nM 508.06 Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(-c3cccc(-c4ccccc4)c3)cc12 Homo sapiens CHEMBL829449 single protein format
CHEMBL3960265 OBDepict CH 3 S S NH O O S F O O H 2 N IC50 = 160.0 nM 402.49 CSc1ccc(/C=C/S(=O)(=O)Nc2cc(F)ccc2S(N)(=O)=O)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3960306 OBDepict F S N H O O NH 2 S O O O IC50 = 170.0 nM 422.46 NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3913683 OBDepict O S N H O S O O NH 2 F F F IC50 = 180.0 nM 482.51 NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3923779 OBDepict CH 3 O N F S N H O O S O O H 2 N IC50 = 190.0 nM 437.47 COc1ncc(-c2cccc(S(=O)(=O)Nc3ccccc3S(N)(=O)=O)c2)cc1F Homo sapiens CHEMBL3887295 assay format
CHEMBL3968505 OBDepict O S NH O S O O NH 2 O IC50 = 190.0 nM 406.49 NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(-c2ccco2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3928194 OBDepict O S N H O S O O NH 2 IC50 = 190.0 nM 388.47 NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc2ccccc2c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3977611 OBDepict CH 3 S S NH O O S O O H 2 N F IC50 = 220.0 nM 402.49 CSc1ccc(/C=C/S(=O)(=O)Nc2ccc(F)cc2S(N)(=O)=O)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3911878 OBDepict F O F F S N H O O S O O H 2 N IC50 = 220.0 nM 472.47 NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3906406 OBDepict O S N H O S O O H 2 N OH CH 3 H 3 C IC50 = 220.0 nM 420.51 CC(C)(O)C#Cc1ccc(/C=C/S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3932675 OBDepict Cl Cl S N H O O S O O H 2 N IC50 = 220.0 nM 457.36 NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(-c2ccc(Cl)c(Cl)c2)c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3926649 OBDepict O S N H O S O O H 2 N CH 3 H 3 C CH 3 IC50 = 220.0 nM 396.53 CC(C)(C)c1ccc(CCS(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3958446 OBDepict CH 3 O Cl S N H O O S O O H 2 N IC50 = 250.0 nM 404.9 COc1cc(Cl)ccc1CCS(=O)(=O)Nc1ccccc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL181236 OBDepict Cl N CH 3 CH 3 O OH O CH 3 CH 3 CH 3 CH 3 H 3 C IC50 = 250.0 nM 482.06 CC(C)c1ccc2c(c1)c(C(=O)CC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1 Homo sapiens CHEMBL829449 single protein format
CHEMBL426054 OBDepict Cl N CH 3 CH 3 O OH O S CH 3 CH 3 CH 3 H 3 C CH 3 IC50 = 260.0 nM 514.13 CC(C)c1ccc2c(c1)c(C(=O)CSC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1 Homo sapiens CHEMBL829449 single protein format
CHEMBL3919221 OBDepict F S NH O O NH 2 S O O F F F IC50 = 270.0 nM 424.4 NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3956630 OBDepict O S NH O S O O NH 2 O IC50 = 270.0 nM 458.56 NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(C2Cc3ccccc3O2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3958405 OBDepict O S N H O S O O NH 2 N IC50 = 270.0 nM 447.58 NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(C#CC2CCCCC2)nc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3957650 OBDepict O S NH O S O O NH 2 IC50 = 270.0 nM 408.55 NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(C2CCCC2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3926208 OBDepict CH 3 S S N H O O S O O H 2 N IC50 = 270.0 nM 384.5 CSc1ccccc1/C=C/S(=O)(=O)Nc1ccccc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3961503 OBDepict F NH S S O O NH 2 O O Cl Cl IC50 = 270.0 nM 425.29 NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3948341 OBDepict CH 3 O Br S N H O O S O O H 2 N F IC50 = 270.0 nM 465.32 COc1ccc(Br)cc1/C=C/S(=O)(=O)Nc1ccc(F)cc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3920820 OBDepict Cl S H 3 C HN O O S O O NH 2 IC50 = 280.0 nM 388.9 CC(Cc1ccc(Cl)cc1)S(=O)(=O)Nc1ccccc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3957007 OBDepict CH 3 O Br S N H O O S O O H 2 N IC50 = 280.0 nM 447.33 COc1ccc(Br)cc1/C=C/S(=O)(=O)Nc1ccccc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3890428 OBDepict H 3 C N CH 3 N S NH O O S O O H 2 N IC50 = 290.0 nM 432.53 CN(C)c1ccc(-c2cccc(S(=O)(=O)Nc3ccccc3S(N)(=O)=O)c2)cn1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3950093 OBDepict F S NH O O NH 2 S O O IC50 = 290.0 nM 406.46 NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc2ccccc2c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3962498 OBDepict Cl S HN O O S O O H 2 N IC50 = 290.0 nM 372.86 NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3920537 OBDepict CH 3 O Br S N H O O S F O O H 2 N IC50 = 290.0 nM 465.32 COc1ccc(Br)cc1/C=C/S(=O)(=O)Nc1cccc(F)c1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3967203 OBDepict CH 3 O Cl S N H O O S F F O O H 2 N IC50 = 290.0 nM 440.88 COc1cc(Cl)ccc1CCS(=O)(=O)Nc1cc(F)cc(F)c1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL360742 OBDepict Cl N H 3 C H 3 C O HO H 3 C CH 3 H 3 C CH 3 H 3 C IC50 = 290.0 nM 530.15 CC(C)c1ccc2c(c1)c(Cc1ccc(C(C)(C)C)cc1)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1 Homo sapiens CHEMBL829449 single protein format
CHEMBL3972879 OBDepict F N H S S O O H 2 N O O H 3 C H 3 C CH 3 IC50 = 300.0 nM 414.52 CC(C)(C)c1ccc(CCS(=O)(=O)Nc2cc(F)ccc2S(N)(=O)=O)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3964934 OBDepict CH 3 O S N H O O S F O O H 2 N IC50 = 300.0 nM 386.43 COc1ccccc1/C=C/S(=O)(=O)Nc1cc(F)ccc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3891610 OBDepict F S NH O O NH 2 S O O Cl Cl IC50 = 300.0 nM 425.29 NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3891513 OBDepict Br S HN O O S F O O H 2 N IC50 = 310.0 nM 435.3 NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(Br)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3900511 OBDepict Br S HN O O S F O O H 2 N IC50 = 310.0 nM 435.3 NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)/C=C/c1ccc(Br)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3922244 OBDepict Cl S HN O O S O O H 2 N F IC50 = 320.0 nM 392.86 NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)CCc1ccc(Cl)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL182092 OBDepict Cl N CH 3 CH 3 CH 3 O OH CH 3 CH 3 CH 3 IC50 = 330.0 nM 411.97 Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(C(C)(C)C)cc12 Homo sapiens CHEMBL829449 single protein format
CHEMBL3899058 OBDepict CH 3 O Cl S N H O O S O O H 2 N HO IC50 = 330.0 nM 434.92 COc1cc(Cl)ccc1CCS(=O)(=O)Nc1ccc(CO)cc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3974448 OBDepict Cl S HN O O S F O O H 2 N IC50 = 350.0 nM 390.85 NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3934373 OBDepict CH 3 S N H O O H 2 N S O O H 3 C H 3 C CH 3 IC50 = 360.0 nM 434.58 Cc1ccc(NS(=O)(=O)CCc2ccc(C#CC(C)(C)C)cc2)c(S(N)(=O)=O)c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3896616 OBDepict CH 3 O S N H O O S O O H 2 N F IC50 = 360.0 nM 386.43 COc1ccccc1/C=C/S(=O)(=O)Nc1ccc(F)cc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3956021 OBDepict CH 3 O Cl S N H O O S O O H 2 N N IC50 = 370.0 nM 429.91 COc1cc(Cl)ccc1CCS(=O)(=O)Nc1cc(C#N)ccc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3932789 OBDepict H 3 C O S N H O O S O O H 2 N IC50 = 380.0 nM 382.46 CCOc1ccccc1/C=C/S(=O)(=O)Nc1ccccc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3957390 OBDepict Cl F S N H O O S O O H 2 N IC50 = 380.0 nM 364.81 NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1F Homo sapiens CHEMBL3887295 assay format
CHEMBL3911599 OBDepict CH 3 O Br S N H O O S F O O H 2 N IC50 = 420.0 nM 465.32 COc1ccc(Br)cc1/C=C/S(=O)(=O)Nc1cc(F)ccc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3960258 OBDepict F O F F S N H O O S O O H 2 N IC50 = 420.0 nM 422.41 NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccccc1OC(F)(F)F Homo sapiens CHEMBL3887295 assay format
CHEMBL3918599 OBDepict F F O F F S N H O O S O O H 2 N IC50 = 420.0 nM 456.44 NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(OC(F)(F)C(F)F)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3960671 OBDepict Cl S HN O O S O O H 2 N F IC50 = 430.0 nM 390.85 NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3955177 OBDepict CH 3 O S N H O O S O O H 2 N IC50 = 430.0 nM 368.44 COc1ccccc1/C=C/S(=O)(=O)Nc1ccccc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3981844 OBDepict Cl S H 3 C HN O O S F O O NH 2 IC50 = 450.0 nM 406.89 CC(Cc1ccc(Cl)cc1)S(=O)(=O)Nc1cc(F)ccc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3936811 OBDepict Cl N S O S HN O O S O O H 2 N IC50 = 460.0 nM 459.96 NS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(OCc2cnc(Cl)s2)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3957896 OBDepict Cl Cl S N H O O S O O NH 2 IC50 = 480.0 nM 457.36 NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(-c2cccc(Cl)c2Cl)c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3943328 OBDepict Cl S HN O O S O O H 2 N IC50 = 490.0 nM 374.87 NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(Cl)cc1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3979799 OBDepict O S N H O S O O NH 2 IC50 = 490.0 nM 390.49 NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc2ccccc2c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3937378 OBDepict Cl S H 3 C HN O O S F O O NH 2 IC50 = 520.0 nM 404.87 C/C(=Cc1ccc(Cl)cc1)S(=O)(=O)Nc1cccc(F)c1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3965135 OBDepict CH 3 O Cl S N H O O S O O H 2 N N IC50 = 520.0 nM 429.91 COc1cc(Cl)ccc1CCS(=O)(=O)Nc1ccc(C#N)cc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format
CHEMBL3899994 OBDepict Cl S HN O O S F O O H 2 N IC50 = 530.0 nM 390.85 NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1cccc(Cl)c1 Homo sapiens CHEMBL3887295 assay format
CHEMBL3960851 OBDepict CH 3 O Cl S N H O O S O O H 2 N H 3 C IC50 = 560.0 nM 418.92 COc1cc(Cl)ccc1CCS(=O)(=O)Nc1ccc(C)cc1S(N)(=O)=O Homo sapiens CHEMBL3887295 assay format