HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q13258 | PD2R_HUMAN | Prostaglandin D2 receptor (PTGDR)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL116836 OBDepict HO O H H N H H H CH 3 H 3 C O S F IC50 = 0.27 nM 443.58 CC1(C)[C@H]2C[C@H](C/C=CCCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(F)cc34)[C@@H]1C2 Homo sapiens CHEMBL767849 assay format
CHEMBL483991 OBDepict OH O H N S N H 3 C CH 3 Cl Cl Ki = 0.32 nM 435.38 CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@@H]1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL520007 OBDepict OH O N S N Cl H 3 C CH 3 Cl Cl Ki = 0.39 nM 469.82 CC(C)c1nccc2c1c(Sc1cc(Cl)c(Cl)cc1Cl)c1n2CCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL484779 OBDepict HO O N S N Cl H 3 C CH 3 Cl Ki = 0.39 nM 435.38 CC(C)c1nccc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL116837 OBDepict HO O H H N H H H CH 3 H 3 C O S OH IC50 = 0.4 nM 441.59 CC1(C)[C@H]2C[C@H](C/C=CCCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(O)cc34)[C@@H]1C2 Homo sapiens CHEMBL767849 assay format
CHEMBL79943 OBDepict HO O H H N H H H CH 3 H 3 C O S F IC50 = 0.42 nM 443.58 CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(F)cc34)[C@@H]1C2 Homo sapiens CHEMBL768775 assay format
CHEMBL483159 OBDepict OH O N S N H 3 C CH 3 Cl Cl Ki = 0.53 nM 435.38 CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL426559 OBDepict HO O H N S F O O CH 3 Cl Ki = 0.57 nM 435.9 CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 Homo sapiens CHEMBL856874 cell-based format
CHEMBL484778 OBDepict OH O H N S N H 3 C CH 3 Cl Cl Ki = 0.64 nM 435.38 CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@H]1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL484777 OBDepict HO O N S N H 3 C CH 3 F F F Ki = 0.67 nM 434.48 CC(C)c1nccc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL483346 OBDepict OH O N S N CH 3 H 3 C Cl Ki = 0.71 nM 400.93 CC(C)c1nccc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL483154 OBDepict OH O N S N Cl Cl Ki = 0.74 nM 447.39 O=C(O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc12 Homo sapiens CHEMBL971468 cell-based format
CHEMBL482744 OBDepict HO O N S N Cl Cl Ki = 0.8 nM 433.36 O=C(O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(C3CC3)nccc12 Homo sapiens CHEMBL971468 cell-based format
CHEMBL509685 OBDepict HO O N S N CH 3 CH 3 Cl Ki = 0.88 nM 414.96 CC(C)c1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL518988 OBDepict HO O N S N CH 3 H 3 C Cl Cl Ki = 0.88 nM 449.4 CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL482550 OBDepict CH 3 N N S Cl O OH Cl Ki = 0.91 nM 421.35 CCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL207201 OBDepict OH O N N Br S O O CH 3 Cl Ki = 1.0 nM 547.86 CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2ccc3ccc(Cl)cc3n2)C(CC(=O)O)CC1 Homo sapiens CHEMBL871219 single protein format
CHEMBL514964 OBDepict HO O N S N Cl Cl Ki = 1.0 nM 469.39 O=C(O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(-c3ccccc3)nccc12 Homo sapiens CHEMBL971468 cell-based format
CHEMBL483152 OBDepict HO O N S N Cl Cl Ki = 1.0 nM 461.41 O=C(O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc12 Homo sapiens CHEMBL971468 cell-based format
CHEMBL377072 OBDepict CH 3 S N O OH Cl Ki = 1.0 nM 399.94 CSc1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 Homo sapiens CHEMBL871219 single protein format
CHEMBL521122 OBDepict CH 3 N N S Cl O OH Cl Ki = 1.0 nM 435.38 CCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL385126 OBDepict OH O H N F O CH 3 Cl Ki = 1.1 nM 399.85 CC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 Homo sapiens CHEMBL856874 cell-based format
CHEMBL518461 OBDepict OH O N F O CH 3 Cl Ki = 1.1 nM 399.85 CC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3 Homo sapiens CHEMBL981116 single protein format
CHEMBL518987 OBDepict H 3 C N N S Cl O OH Cl Ki = 1.14 nM 449.4 CCCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL484404 OBDepict OH O N S N Cl Cl CH 3 H 3 C Ki = 1.2 nM 435.38 CC(C)c1nccc2c1c(Sc1c(Cl)cccc1Cl)c1n2CCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL520480 OBDepict OH O N S N S O O CH 3 Cl Cl Ki = 1.3 nM 485.41 CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL474502 OBDepict OH O N S N S O O CH 3 Cl Cl Ki = 1.3 nM 485.41 CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL119810 OBDepict HO O H H N H H H CH 3 H 3 C O S OH IC50 = 1.3 nM 441.59 CC1(C)[C@H]2C[C@H](C/C=CCCCC(=O)O)[C@@H](NC(=O)c3csc4cc(O)ccc34)[C@@H]1C2 Homo sapiens CHEMBL767849 assay format
CHEMBL506909 OBDepict OH O N S N S O O CH 3 Cl Cl Ki = 1.4 nM 471.39 CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL426559 OBDepict HO O H N S F O O CH 3 Cl IC50 = 1.4 nM 435.9 CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 Homo sapiens CHEMBL907965 single protein format
CHEMBL426387 OBDepict OH O H N Br F Cl Ki = 1.5 nM 436.71 O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21 Homo sapiens CHEMBL856874 cell-based format
CHEMBL519862 OBDepict OH O N S N S O O CH 3 Ki = 1.6 nM 466.58 CS(=O)(=O)c1ccnc2c1c(Sc1cccc3ccccc13)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL210707 OBDepict HO O H N + S CH 3 _ O Cl Ki = 1.7 nM 415.94 C[S@+]([O-])c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CCC3 Homo sapiens CHEMBL871219 single protein format
CHEMBL206040 OBDepict OH O N Br S O O CH 3 Cl Ki = 1.7 nM 496.81 CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 Homo sapiens CHEMBL871219 single protein format
CHEMBL267820 OBDepict HO O N H 3 C CH 3 Cl Ki = 1.7 nM 395.93 CC(C)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 Homo sapiens CHEMBL871219 single protein format
CHEMBL207203 OBDepict OH O H N S HO CH 3 O O CH 3 Cl Ki = 1.8 nM 461.97 CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 Homo sapiens CHEMBL871219 single protein format
CHEMBL210356 OBDepict HO O H N + S CH 3 _ O Cl Ki = 1.8 nM 415.94 C[S@@+]([O-])c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CCC3 Homo sapiens CHEMBL871219 single protein format
CHEMBL482547 OBDepict OH O N S N S Cl O O CH 3 Cl Ki = 1.8 nM 485.41 CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL210471 OBDepict OH O N S O O CH 3 Cl Ki = 1.9 nM 431.94 CS(=O)(=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 Homo sapiens CHEMBL871219 single protein format
CHEMBL484327 OBDepict HO O N S N S Cl O O CH 3 Cl Ki = 1.9 nM 485.41 CS(=O)(=O)c1ccnc2c1c(Sc1cccc(Cl)c1Cl)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL311790 OBDepict HO O H H N H H H CH 3 H 3 C O S OH IC50 = 1.9 nM 441.59 CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(O)cc34)[C@@H]1C2 Homo sapiens CHEMBL768775 assay format
CHEMBL4226404 OBDepict OH O H N S S O O CH 3 F F F F IC50 = 2.0 nM 487.5 CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CC[C@@H]1CC(=O)O Homo sapiens CHEMBL4222141 single protein format
CHEMBL514802 OBDepict OH O N S N S O O CH 3 Cl Ki = 2.1 nM 436.94 CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL84452 OBDepict HO O H H N H H H CH 3 H 3 C O S OH IC50 = 2.2 nM 441.59 CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)c3csc4cc(O)ccc34)[C@@H]1C2 Homo sapiens CHEMBL768775 assay format
CHEMBL521290 OBDepict HO O N S N CH 3 H 3 C Cl Cl Ki = 2.3 nM 449.4 CC(C)c1ccnc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL519803 OBDepict OH O N S N Cl Cl Ki = 2.5 nM 447.39 O=C(O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(C3CC3)nccc12 Homo sapiens CHEMBL971468 cell-based format
CHEMBL378125 OBDepict OH O N Br Cl Ki = 2.6 nM 432.74 O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cccc21 Homo sapiens CHEMBL871219 single protein format
CHEMBL383484 OBDepict OH O H N S O CH 3 O O CH 3 Cl Ki = 2.6 nM 459.95 CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 Homo sapiens CHEMBL871219 single protein format
CHEMBL207916 OBDepict OH O N S O O CH 3 Cl Ki = 2.8 nM 500.06 CS(=O)(=O)c1cc(C2CCCCC2)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 Homo sapiens CHEMBL871219 single protein format
CHEMBL383224 OBDepict HO O N + S H 3 C _ O Cl Ki = 2.8 nM 415.94 C[S+]([O-])c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 Homo sapiens CHEMBL871219 single protein format
CHEMBL483939 OBDepict OH O N S N S O O CH 3 Br Ki = 3.3 nM 495.42 CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Br)cc1)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL210615 OBDepict OH O N Br S O O CH 3 Cl Ki = 3.5 nM 496.81 CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2cccc(Cl)c2)C(CC(=O)O)CC1 Homo sapiens CHEMBL871219 single protein format
CHEMBL364841 OBDepict HO O N H 3 C O O H O N CH 3 Ki = 3.5 nM 470.53 Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 Homo sapiens CHEMBL828877 cell-based format
CHEMBL377055 OBDepict H 2 C N S O O CH 3 O HO Cl Ki = 3.6 nM 443.95 C=Cc1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3 Homo sapiens CHEMBL871219 single protein format
CHEMBL520481 OBDepict OH O N S N S O O CH 3 F F F Ki = 3.7 nM 484.52 CS(=O)(=O)c1ccnc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL484130 OBDepict OH O N S N S Cl O O CH 3 F Ki = 3.7 nM 468.96 CS(=O)(=O)c1ccnc2c1c(Sc1ccc(F)cc1Cl)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL208083 OBDepict HO O N + S _ O Cl Ki = 3.9 nM 492.04 O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c([S+]([O-])Cc3ccccc3)cccc21 Homo sapiens CHEMBL871219 single protein format
CHEMBL484525 OBDepict OH O N S N S O O CH 3 Cl Ki = 4.0 nM 450.97 CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL379491 OBDepict H 3 C + S _ O N O OH Cl Ki = 4.0 nM 429.97 CC[S+]([O-])c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 Homo sapiens CHEMBL871219 single protein format
CHEMBL1950879 OBDepict H 3 C N H N HN O S O O Cl Cl O CH 3 O OH IC50 = 4.0 nM 590.49 CCCc1cc(-c2ccc(Oc3ccc(CC(=O)O)cc3OC)c(NS(=O)(=O)c3ccc(Cl)cc3Cl)c2)n[nH]1 Homo sapiens CHEMBL1953543 cell-based format
CHEMBL207451 OBDepict OH O N Br S N O O H 3 C CH 3 Cl Ki = 4.1 nM 525.85 CN(C)S(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 Homo sapiens CHEMBL871219 single protein format
CHEMBL209033 OBDepict OH O N Br S O O CH 3 O F F F Ki = 4.1 nM 546.36 CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2cccc(OC(F)(F)F)c2)C(CC(=O)O)CC1 Homo sapiens CHEMBL871219 single protein format
CHEMBL210744 OBDepict HO O N N Br S O O CH 3 S Cl Cl Ki = 4.4 nM 588.33 CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2ccc3sc(Cl)c(Cl)c3n2)C(CC(=O)O)CC1 Homo sapiens CHEMBL871219 single protein format
CHEMBL207689 OBDepict OH O N S S O O CH 3 Cl Ki = 4.5 nM 500.04 CS(=O)(=O)c1cc(-c2cccs2)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 Homo sapiens CHEMBL871219 single protein format
CHEMBL1950870 OBDepict CH 3 N H O HN O S O O Cl Cl O O OH IC50 = 5.0 nM 591.47 CCCCNC(=O)c1ccc(Oc2ccc3c(CC(=O)O)coc3c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Homo sapiens CHEMBL1953543 cell-based format
CHEMBL185251 OBDepict HO O N H 3 C O O H O N CH 3 F Ki = 5.3 nM 488.52 Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccc(F)cc3O2)cc1 Homo sapiens CHEMBL828877 cell-based format
CHEMBL1643781 OBDepict HO O N Cl Cl H N S H 3 C O O F Ki = 5.6 nM 485.36 CN([C@@H]1CCc2c(CC(=O)O)c3c(Cl)cc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 Homo sapiens CHEMBL1645648 single protein format
CHEMBL1951562 OBDepict H 3 C N H O HN O S O O Cl Cl H 3 C O OH IC50 = 6.0 nM 565.48 CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2C)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Homo sapiens CHEMBL1955370 cell-based format
CHEMBL1950871 OBDepict H 3 C N H O HN S O O Cl Cl O H 3 C O OH IC50 = 6.0 nM 579.5 CCCCNC(=O)c1ccc(Cc2ccc(CC(=O)O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Homo sapiens CHEMBL1953543 cell-based format
CHEMBL485535 OBDepict OH O N S N S O O H 3 C H 3 C Ki = 6.0 nM 430.55 Cc1ccc(Sc2c3n(c4nccc(S(C)(=O)=O)c24)CCCC3CC(=O)O)cc1 Homo sapiens CHEMBL971468 cell-based format
CHEMBL210045 OBDepict O N O OH Cl Ki = 6.3 nM 381.86 O=Cc1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 Homo sapiens CHEMBL871219 single protein format
CHEMBL1951566 OBDepict H 3 C N H O HN O S O O Cl Cl F F O OH IC50 = 7.0 nM 587.43 CCCCNC(=O)c1ccc(Oc2cc(F)c(CC(=O)O)cc2F)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Homo sapiens CHEMBL1955370 cell-based format
CHEMBL208319 OBDepict OH O N Br S O O CH 3 H 3 C CH 3 H 3 C Ki = 7.5 nM 518.47 CC(C)(C)c1ccc(Cn2c3c(c4cc(S(C)(=O)=O)cc(Br)c42)CCC3CC(=O)O)cc1 Homo sapiens CHEMBL871219 single protein format
CHEMBL1951563 OBDepict H 3 C N H O HN O S O O Cl Cl Cl O OH IC50 = 8.0 nM 585.89 CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2Cl)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Homo sapiens CHEMBL1955370 cell-based format
CHEMBL378744 OBDepict HO O N S HO CH 3 O O CH 3 Cl Ki = 8.5 nM 461.97 CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3 Homo sapiens CHEMBL871219 single protein format
CHEMBL82489 OBDepict OH O H H H HN S H O O IC50 = 8.6 nM 477.63 O=C(O)CCC/C=CC[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(C#Cc2ccccc2)cc1 Homo sapiens CHEMBL767849 assay format
CHEMBL221007 OBDepict HO O N S F O O CH 3 Cl Ki = 8.9 nM 435.9 CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3 Homo sapiens CHEMBL856874 cell-based format
CHEMBL1951568 OBDepict HO O Cl O N H S O O Cl Cl N H O IC50 = 9.0 nM 583.88 O=C(O)Cc1ccc(Oc2ccc(C(=O)NC3CCC3)cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 Homo sapiens CHEMBL1955370 cell-based format
CHEMBL3287081 OBDepict H 3 C O O O OH N H S N O O Cl Cl H 3 C IC50 = 9.0 nM 535.41 COc1cc(CC(=O)O)ccc1Oc1ccc2c(ccn2C)c1NS(=O)(=O)c1ccc(Cl)cc1Cl Homo sapiens CHEMBL3295026 cell-based format
CHEMBL569521 OBDepict CH 3 N H O HN O S O O Cl Cl O CH 3 O OH IC50 = 9.0 nM 595.5 CCCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Homo sapiens CHEMBL1047088 cell-based format
CHEMBL379711 OBDepict HO O N S O CH 3 O O CH 3 Cl Ki = 9.5 nM 459.95 CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3 Homo sapiens CHEMBL871219 single protein format
CHEMBL387477 OBDepict HO O H N S F O O CH 3 Cl Ki = 9.6 nM 435.9 CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@H](CC(=O)O)CC3 Homo sapiens CHEMBL856874 cell-based format
CHEMBL207805 OBDepict N N S O O CH 3 O OH Cl Ki = 9.7 nM 442.92 CS(=O)(=O)c1cc(C#N)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 Homo sapiens CHEMBL871219 single protein format
CHEMBL1950877 OBDepict H 3 C N N H N HN O S O O Cl Cl O CH 3 O OH IC50 = 10.0 nM 591.47 CCCc1nc(-c2ccc(Oc3ccc(CC(=O)O)cc3OC)c(NS(=O)(=O)c3ccc(Cl)cc3Cl)c2)n[nH]1 Homo sapiens CHEMBL1953543 cell-based format
CHEMBL1950878 OBDepict H 3 C N N H HN O S O O Cl Cl O CH 3 O OH IC50 = 10.0 nM 590.49 CCCc1nc(-c2ccc(Oc3ccc(CC(=O)O)cc3OC)c(NS(=O)(=O)c3ccc(Cl)cc3Cl)c2)c[nH]1 Homo sapiens CHEMBL1953543 cell-based format
CHEMBL364593 OBDepict OH O N CH 3 O O H O O Ki = 10.0 nM 457.48 Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2COc3ccccc3O2)cc1 Homo sapiens CHEMBL828877 cell-based format
CHEMBL570009 OBDepict CH 3 O O O OH N H S O O Cl Cl N H O IC50 = 11.0 nM 579.46 COc1cc(CC(=O)O)ccc1Oc1ccc(C(=O)NC2CCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1Cl Homo sapiens CHEMBL1047088 cell-based format
CHEMBL208260 OBDepict OH O N F F Cl Ki = 11.0 nM 389.83 O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(F)cc(F)cc21 Homo sapiens CHEMBL871219 single protein format
CHEMBL589973 OBDepict H 3 C N H O HN O S O O Cl Cl O H 3 C O OH IC50 = 12.0 nM 581.47 CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Homo sapiens CHEMBL1047088 cell-based format
CHEMBL482548 OBDepict CH 3 S N N S O OH Cl Ki = 12.4 nM 418.97 CSc1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O Homo sapiens CHEMBL971468 cell-based format
CHEMBL1933766 OBDepict CH 3 N H O HN O S O O Cl O H 3 C O OH IC50 = 13.0 nM 547.03 CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 Homo sapiens CHEMBL1936379 cell-based format
CHEMBL81231 OBDepict OH O H H HN H H H 3 C H 3 C O S H 3 C IC50 = 13.0 nM 389.56 Cc1cc(C(=O)N[C@@H]2[C@@H](C/C=C/CCCC(=O)O)C[C@H]3C[C@@H]2C3(C)C)cs1 Homo sapiens CHEMBL768775 assay format
CHEMBL4227417 OBDepict OH O H N CH 3 H S F O O H 3 C F F F IC50 = 13.0 nM 497.51 C[C@H](c1ccc(C(F)(F)F)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O Homo sapiens CHEMBL4222141 single protein format
CHEMBL474702 OBDepict HO O N S N Cl Cl Ki = 13.6 nM 393.3 O=C(O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1cnccc12 Homo sapiens CHEMBL971468 cell-based format
CHEMBL1951567 OBDepict OH O Cl O HN S O O Cl Cl N H O IC50 = 14.0 nM 569.85 O=C(O)Cc1ccc(Oc2ccc(C(=O)NC3CC3)cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 Homo sapiens CHEMBL1955370 cell-based format
CHEMBL1083445 OBDepict Cl N Cl N H O CH 3 H O OH Ki = 14.0 nM 467.35 C[C@H](NC(=O)c1cccc2c(Cl)cn(Cc3cccc(Cl)c3)c12)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL1120633 cell-based format
CHEMBL1643786 OBDepict CH 3 N S O O F H N O HO Ki = 14.6 nM 430.5 CCN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 Homo sapiens CHEMBL1645648 single protein format
CHEMBL1951569 OBDepict HO O Cl O N H S O O Cl Cl N H O CH 3 H 3 C CH 3 IC50 = 15.0 nM 585.89 CC(C)(C)NC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2Cl)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Homo sapiens CHEMBL1955370 cell-based format
CHEMBL311199 OBDepict CH 3 O N H S NH O O H H H H O HO IC50 = 15.0 nM 522.67 COc1ccc(-c2cc3ccc(S(=O)(=O)N[C@@H]4[C@@H]5CC[C@@H](C5)[C@H]4C/C=CCCCC(=O)O)cc3[nH]2)cc1 Homo sapiens CHEMBL767848 assay format
CHEMBL1950875 OBDepict CH 3 O O O OH HN S O O Cl Cl N N N H CH 3 IC50 = 15.0 nM 577.45 CCc1nc(-c2ccc(Oc3ccc(CC(=O)O)cc3OC)c(NS(=O)(=O)c3ccc(Cl)cc3Cl)c2)n[nH]1 Homo sapiens CHEMBL1953543 cell-based format