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Q9Y5Y4 | PD2R2_HUMAN | Prostaglandin D2 receptor 2 (PTGDR2)

3D structures mapped by conservation among orthologs

[ Domain: "Lysozyme-like" // Phage_lysozyme_2 ]

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[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

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[ 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
CHEMBL2181748 OBDepict HO O H 3 C O N F Br S O O CH 3 IC50 = 0.02 nM 468.3 Cc1c(CC(=O)O)cc2ccc(F)cc2c1Oc1ncc(S(C)(=O)=O)cc1Br Homo sapiens CHEMBL2182589 single protein format
CHEMBL3685847 OBDepict OH O CH 3 N CH 3 N N H O N Ki < 0.1 nM 492.58 Cc1nn(Cc2ccc(NC(=O)c3cc4ccccc4n3Cc3ccccc3)cc2)c(C)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3690177 OBDepict CH 3 N N H O F F N N H 3 C CH 3 O OH Ki = 0.1 nM 466.49 CCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)c(F)c2)cc2ccc(F)cc21 Homo sapiens CHEMBL3705226 assay format
CHEMBL3685926 OBDepict H 3 C N N O HO CH 3 H 3 C N H O Ki = 0.1 nM 469.59 CCCc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c(C(C)C)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3639847 OBDepict H 3 C O N CH 3 H N H O N N CH 3 H 3 C O HO Ki = 0.1 nM 446.51 COc1ccc2[nH]c(C(=O)Nc3ccc(Cn4nc(C)c(CC(=O)O)c4C)cc3)c(C)c2c1 Homo sapiens CHEMBL3705226 assay format
CHEMBL3690164 OBDepict H 3 C N N H O F N N H 3 C CH 3 O OH Ki = 0.1 nM 462.53 CCCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)cc2)cc2ccc(F)cc21 Homo sapiens CHEMBL3705226 assay format
CHEMBL1778632 OBDepict OH O O Cl F F F N S H 3 C O O H 3 C IC50 = 0.1 nM 437.82 CN(c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c(Cl)c1)S(C)(=O)=O Homo sapiens CHEMBL1780687 single protein format
CHEMBL3685933 OBDepict H 3 C N N O HO N H O F F F Ki = 0.1 nM 471.48 CCc1nn(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(C2CC2)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3685949 OBDepict CH 3 N N O HO H 3 C N H O O Cl Cl Ki = 0.1 nM 490.39 CCc1nn(Cc2ccc(NC(=O)OCc3ccc(Cl)c(Cl)c3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3685952 OBDepict CH 3 N N O HO H 3 C N H O O Ki = 0.1 nM 471.56 CCc1nn(Cc2ccc(NC(=O)OCc3ccc4ccccc4c3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3690191 OBDepict CH 3 N N H O F F N N H 3 C CH 3 O OH Ki = 0.1 nM 494.54 CCCCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)c(F)c2)cc2cc(F)ccc21 Homo sapiens CHEMBL3705226 assay format
CHEMBL3686053 OBDepict H 3 C N N H 3 C O HO CH 3 N H O F F F Ki = 0.1 nM 473.5 CCc1nn(C(C)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3690185 OBDepict H 3 C O O CH 3 N H O F N N H 3 C CH 3 O OH Ki = 0.1 nM 465.48 COc1ccc2oc(C(=O)Nc3ccc(Cn4nc(C)c(CC(=O)O)c4C)c(F)c3)c(C)c2c1 Homo sapiens CHEMBL3705226 assay format
CHEMBL3690178 OBDepict CH 3 N N H O F F N N CH 3 H 3 C O HO Ki = 0.1 nM 480.52 CCCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)c(F)c2)cc2ccc(F)cc21 Homo sapiens CHEMBL3705226 assay format
CHEMBL3947507 OBDepict CH 3 N N O OH CH 3 N N H Ki = 0.1 nM 438.53 CCc1nn(Cc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3887728 cell-based format
CHEMBL3690165 OBDepict CH 3 N N H O F N N H 3 C CH 3 O OH Ki = 0.1 nM 448.5 CCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)cc2)cc2ccc(F)cc21 Homo sapiens CHEMBL3705226 assay format
CHEMBL3685833 OBDepict HO O H 3 C N H 3 C N F N H O N Ki = 0.2 nM 510.57 Cc1nn(Cc2ccc(NC(=O)c3cc4ccccc4n3Cc3ccccc3)cc2F)c(C)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3685924 OBDepict H 3 C N N O HO CH 3 CH 3 N H O Cl Cl Ki = 0.2 nM 488.42 CCCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(C(C)C)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3685891 OBDepict CH 3 N N O HO H 3 C N H O Ki = 0.2 nM 441.53 CCc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL2181803 OBDepict OH O N CH 3 S F F S O O CH 3 Ki = 0.2 nM 411.45 Cc1c(CC(=O)O)c2ccc(F)cn2c1Sc1ccc(S(C)(=O)=O)cc1F Homo sapiens CHEMBL2182571 cell-based format
CHEMBL3685864 OBDepict OH O CH 3 N CH 3 N N H O H 3 C H 3 C CH 3 Ki = 0.2 nM 419.53 Cc1nn(Cc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3690192 OBDepict H 3 C N N H O F N N H 3 C CH 3 O OH Ki = 0.2 nM 462.53 CCCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)c(F)c2)cc2ccccc21 Homo sapiens CHEMBL3705226 assay format
CHEMBL3685840 OBDepict OH O CH 3 N H 3 C N N H O N H Ki = 0.2 nM 402.45 Cc1nn(Cc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)c(C)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3685841 OBDepict OH O CH 3 N CH 3 N N H O N H F Ki = 0.2 nM 420.44 Cc1nn(Cc2ccc(NC(=O)c3cc4ccc(F)cc4[nH]3)cc2)c(C)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3690167 OBDepict CH 3 N N H O F N N H 3 C CH 3 O OH Ki = 0.2 nM 448.5 CCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)c(F)c2)cc2ccccc21 Homo sapiens CHEMBL3705226 assay format
CHEMBL3690189 OBDepict CH 3 N N H O F N N H 3 C CH 3 O OH Ki = 0.2 nM 476.55 CCCCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)c(F)c2)cc2ccccc21 Homo sapiens CHEMBL3705226 assay format
CHEMBL3690155 OBDepict H 3 C N N O OH CH 3 N H O O Cl Ki = 0.2 nM 465.94 CCc1nn(Cc2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3690158 OBDepict CH 3 N N O OH CH 3 N H O N CH 3 Ki = 0.2 nM 458.56 CCc1nn(Cc2ccc(NC(=O)c3cc4ccccc4n3CC)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3685925 OBDepict CH 3 N N O OH H 3 C H 3 C N H O F F F Ki = 0.2 nM 487.52 CCCc1nn(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(C(C)C)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3690161 OBDepict H 3 C N N O HO H 3 C N H O N H F Ki = 0.2 nM 448.5 CCc1nn(Cc2ccc(NC(=O)c3cc4ccc(F)cc4[nH]3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3690172 OBDepict OH O CH 3 N H 3 C N N H O O Cl Ki = 0.2 nM 437.88 Cc1nn(Cc2ccc(NC(=O)c3cc4ccc(Cl)cc4o3)cc2)c(C)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3690168 OBDepict CH 3 N N H O F F N N H 3 C CH 3 O OH Ki = 0.2 nM 466.49 CCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)c(F)c2)cc2cc(F)ccc21 Homo sapiens CHEMBL3705226 assay format
CHEMBL3936579 OBDepict OH O O H N Cl S O O N F IC50 = 0.2 nM 476.91 O=C(O)COc1ccc(Cl)cc1[C@@H]1c2scnc2CCN1C(=O)OCc1cccc(F)c1 Homo sapiens CHEMBL3887431 assay format
CHEMBL3690190 OBDepict H 3 C N N H O F F N N H 3 C CH 3 O OH Ki = 0.2 nM 480.52 CCCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)c(F)c2)cc2cc(F)ccc21 Homo sapiens CHEMBL3705226 assay format
CHEMBL3685842 OBDepict OH O CH 3 N CH 3 N N H O N H F Ki = 0.2 nM 420.44 Cc1nn(Cc2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)c(C)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3685885 OBDepict CH 3 N N O HO H 3 C N H O F F F Ki = 0.2 nM 459.47 CCc1nn(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3685936 OBDepict H 3 C N N CH 3 O OH N H O F F F Ki = 0.2 nM 445.44 CCc1nn(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c(C)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3974100 OBDepict CH 3 N N O OH CH 3 N N H F F F Ki = 0.2 nM 456.47 CCc1nn(Cc2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3887728 cell-based format
CHEMBL3903436 OBDepict H 3 C N N O HO H 3 C N N H H 3 C CH 3 H 3 C Ki = 0.2 nM 444.58 CCc1nn(Cc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3887728 cell-based format
CHEMBL3961172 OBDepict H 3 C N N O HO H 3 C N N H Cl Cl Ki = 0.2 nM 457.36 CCc1nn(Cc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3887728 cell-based format
CHEMBL3904070 OBDepict CH 3 O O OH N F O O F IC50 = 0.2 nM 521.56 CCOc1cc(CC(=O)O)ccc1-c1ccc(F)c2c1CN(C(=O)CC1CCOc3cc(F)ccc31)CC2 Homo sapiens CHEMBL3887945 assay format
CHEMBL1778635 OBDepict N F O F F F O HO IC50 = 0.2 nM 339.24 N#Cc1ccc(F)c(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1 Homo sapiens CHEMBL1780687 single protein format
CHEMBL1777822 OBDepict N H 3 C O F F F O OH IC50 = 0.2 nM 335.28 Cc1ccc(C#N)cc1-c1cc(C(F)(F)F)ccc1OCC(=O)O Homo sapiens CHEMBL1780687 single protein format
CHEMBL1778637 OBDepict HO O O Cl F F F S O O CH 3 IC50 = 0.2 nM 408.78 CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c(Cl)c1 Homo sapiens CHEMBL1780687 single protein format
CHEMBL3943674 OBDepict H 3 C O N O OH F O F F F IC50 = 0.22 nM 527.51 COc1ccc(CC(=O)O)cc1-c1ccc(F)c2c1CN(C(=O)C1CC1c1ccccc1C(F)(F)F)CC2 Homo sapiens CHEMBL3887945 assay format
CHEMBL3685890 OBDepict H 3 C N N O HO H 3 C N H O Cl Cl Ki = 0.25 nM 460.36 CCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3948483 OBDepict CH 3 O N O OH F O O IC50 = 0.28 nM 477.53 CCCOc1ccc(CC(=O)O)cc1-c1ccc(F)c2c1CN(C(=O)OCc1ccccc1)CC2 Homo sapiens CHEMBL3887945 assay format
CHEMBL3959123 OBDepict OH O O N F O O IC50 = 0.28 nM 489.54 O=C(O)Cc1ccc(OCC2CC2)c(-c2ccc(F)c3c2CN(C(=O)OCc2ccccc2)CC3)c1 Homo sapiens CHEMBL3887945 assay format
CHEMBL3936792 OBDepict CH 3 O O OH N F O O IC50 = 0.3 nM 489.54 CCOc1cc(CC(=O)O)ccc1-c1ccc(F)c2c1CN(C(=O)CC1COc3ccccc31)CC2 Homo sapiens CHEMBL3887945 assay format
CHEMBL3940607 OBDepict OH O O H N Cl S O O N Cl F IC50 = 0.3 nM 511.36 O=C(O)COc1ccc(Cl)cc1[C@@H]1c2scnc2CCN1C(=O)OCc1cc(F)ccc1Cl Homo sapiens CHEMBL3887431 assay format
CHEMBL1778638 OBDepict H 3 C S O O Cl O F F F O HO IC50 = 0.3 nM 422.81 CCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c(Cl)c1 Homo sapiens CHEMBL1780687 single protein format
CHEMBL1689131 OBDepict HO O O N F F F N H CH 3 O F IC50 = 0.3 nM 468.45 C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2OCC(=O)O)CCN1C(=O)Cc1ccc(F)cc1 Homo sapiens CHEMBL1693030 cell-based format
CHEMBL3903658 OBDepict HO O O H N Cl S O O N F F IC50 = 0.3 nM 494.9 O=C(O)COc1ccc(Cl)cc1[C@@H]1c2scnc2CCN1C(=O)OCc1c(F)cccc1F Homo sapiens CHEMBL3887431 assay format
CHEMBL3898097 OBDepict CH 3 O O OH N F O CH 3 H 3 C F IC50 = 0.3 nM 507.58 CCOc1cc(CC(=O)O)ccc1-c1ccc(F)c2c1CN(C(=O)CC(C)(C)c1ccc(F)cc1)CC2 Homo sapiens CHEMBL3887945 assay format
CHEMBL3690171 OBDepict CH 3 O N H O F F N N H 3 C CH 3 O OH Ki = 0.3 nM 467.47 CCc1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)cc2)oc2c(F)cc(F)cc12 Homo sapiens CHEMBL3705226 assay format
CHEMBL3920034 OBDepict H 3 C N N O HO H 3 C N N H Cl Ki = 0.3 nM 422.92 CCc1nn(Cc2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3887728 cell-based format
CHEMBL3690157 OBDepict H 3 C N N O HO H 3 C N H O N CH 3 Ki = 0.3 nM 444.54 CCc1nn(Cc2ccc(NC(=O)c3cc4ccccc4n3C)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3978108 OBDepict H 3 C N N O HO H 3 C N N H Br Cl Ki = 0.3 nM 501.81 CCc1nn(Cc2ccc(-c3nc4cc(Br)c(Cl)cc4[nH]3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3887728 cell-based format
CHEMBL3690170 OBDepict CH 3 O N H O F N N H 3 C CH 3 O OH Ki = 0.3 nM 449.48 CCc1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)cc2)oc2c(F)cccc12 Homo sapiens CHEMBL3705226 assay format
CHEMBL3690156 OBDepict H 3 C N N O HO H 3 C N H O N H Ki = 0.3 nM 430.51 CCc1nn(Cc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3690180 OBDepict OH O CH 3 N CH 3 N F N H O O CH 3 Cl Ki = 0.3 nM 469.9 Cc1nn(Cc2ccc(NC(=O)c3oc4ccc(Cl)cc4c3C)cc2F)c(C)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3918166 OBDepict OH O CH 3 N H 3 C N N H F F F Ki = 0.3 nM 427.43 Cc1nn(Cc2ccc(-c3cc4ccc(C(F)(F)F)cc4[nH]3)cc2)c(C)c1CC(=O)O Homo sapiens CHEMBL3887728 cell-based format
CHEMBL3690181 OBDepict OH O CH 3 N CH 3 N F N H O O CH 3 Br Ki = 0.3 nM 514.35 Cc1nn(Cc2ccc(NC(=O)c3oc4cc(Br)ccc4c3C)cc2F)c(C)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3690159 OBDepict H 3 C N N O HO H 3 C N H O N H F Ki = 0.3 nM 448.5 CCc1nn(Cc2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3685844 OBDepict OH O CH 3 N H 3 C N N H O S Ki = 0.3 nM 419.51 Cc1nn(Cc2ccc(NC(=O)c3cc4ccccc4s3)cc2)c(C)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3950956 OBDepict CH 3 N N O OH CH 3 F N N H CH 3 Cl Ki = 0.3 nM 454.93 CCc1nn(Cc2ccc(-c3nc4cc(C)c(Cl)cc4[nH]3)cc2F)c(CC)c1CC(=O)O Homo sapiens CHEMBL3887728 cell-based format
CHEMBL3685943 OBDepict CH 3 N N O HO H 3 C N H O O Ki = 0.3 nM 421.5 CCc1nn(Cc2ccc(NC(=O)OCc3ccccc3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3685838 OBDepict OH O CH 3 N H 3 C N N H O O Cl Ki = 0.3 nM 437.88 Cc1nn(Cc2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2)c(C)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3685967 OBDepict OH O H 3 C N H 3 C N H 3 C N H O Ki = 0.3 nM 427.5 Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1Cn1nc(C)c(CC(=O)O)c1C Homo sapiens CHEMBL3705511 cell-based format
CHEMBL1778633 OBDepict OH O O CH 3 F F F N S CH 3 O O CH 3 IC50 = 0.4 nM 417.41 Cc1cc(N(C)S(C)(=O)=O)ccc1-c1cc(C(F)(F)F)ccc1OCC(=O)O Homo sapiens CHEMBL1780687 single protein format
CHEMBL1778628 OBDepict N O F F F O HO IC50 < 0.4 nM 321.25 N#Cc1cccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1 Homo sapiens CHEMBL1780687 single protein format
CHEMBL3960425 OBDepict OH O O H N Cl S O O N F F IC50 = 0.4 nM 494.9 O=C(O)COc1ccc(Cl)cc1[C@@H]1c2scnc2CCN1C(=O)OCc1ccc(F)cc1F Homo sapiens CHEMBL3887431 assay format
CHEMBL3918066 OBDepict CH 3 H 3 C O N O H S N O Cl O HO IC50 = 0.4 nM 438.93 CC(C)CCOC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(=O)O Homo sapiens CHEMBL3887431 assay format
CHEMBL3137332 OBDepict HO O H 3 C N N F F F S O O CH 3 IC50 = 0.4 nM 426.42 Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F Homo sapiens CHEMBL4000101 single protein format
CHEMBL3667653 OBDepict OH O H 3 C F S NH O O IC50 = 0.4 nM 463.53 Cc1c(CC(=O)O)cc2ccc(F)cc2c1-c1ccc(S(=O)(=O)NCc2ccccc2)cc1 Homo sapiens CHEMBL3706252 cell-based format
CHEMBL3685921 OBDepict CH 3 N N O OH H 3 C H 3 C N H O Cl Ki = 0.4 nM 453.97 CCCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C(C)C)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3902113 OBDepict H 3 C N N O HO H 3 C N N H F Cl Ki = 0.4 nM 440.91 CCc1nn(Cc2ccc(-c3nc4cc(F)c(Cl)cc4[nH]3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3887728 cell-based format
CHEMBL3690187 OBDepict OH O CH 3 N CH 3 N F N H O N CH 3 F Ki = 0.4 nM 452.46 Cc1nn(Cc2ccc(NC(=O)c3cc4cc(F)ccc4n3C)cc2F)c(C)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3690175 OBDepict OH O CH 3 N CH 3 N F N H O O Cl Ki = 0.4 nM 455.87 Cc1nn(Cc2ccc(NC(=O)c3cc4ccc(Cl)cc4o3)cc2F)c(C)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3690176 OBDepict CH 3 N N H O F F N N H 3 C CH 3 O OH Ki = 0.4 nM 466.49 CCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)c(F)c2)cc2c(F)cccc21 Homo sapiens CHEMBL3705226 assay format
CHEMBL3685846 OBDepict CH 3 N N H O N N H 3 C CH 3 O OH Ki = 0.4 nM 430.51 CCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)cc2)cc2ccccc21 Homo sapiens CHEMBL3705226 assay format
CHEMBL3945777 OBDepict H 3 C N N O HO H 3 C N N H Cl Cl Ki = 0.4 nM 457.36 CCc1nn(Cc2ccc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3887728 cell-based format
CHEMBL3690186 OBDepict OH O CH 3 N CH 3 N F N H O O CH 3 F Ki = 0.4 nM 453.45 Cc1nn(Cc2ccc(NC(=O)c3oc4c(F)cccc4c3C)cc2F)c(C)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL3978199 OBDepict H 3 C N N O HO H 3 C F N N H Br Ki = 0.4 nM 485.36 CCc1nn(Cc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2F)c(CC)c1CC(=O)O Homo sapiens CHEMBL3887728 cell-based format
CHEMBL3892479 OBDepict CH 3 O O HO N F O N CH 3 IC50 = 0.46 nM 500.57 COc1cc(CC(=O)O)ccc1-c1ccc(F)c2c1CN(C(=O)CCc1cn(C)c3ccccc13)CC2 Homo sapiens CHEMBL3887945 assay format
CHEMBL600845 OBDepict OH O S N F F N F IC50 = 0.48 nM 440.45 O=C(O)Cc1sc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccnc(F)c1 Homo sapiens CHEMBL1066570 cell-based format
CHEMBL3892136 OBDepict H 3 C O O N O OH F O O IC50 = 0.49 nM 493.53 COCCOc1ccc(CC(=O)O)cc1-c1ccc(F)c2c1CN(C(=O)OCc1ccccc1)CC2 Homo sapiens CHEMBL3887945 assay format
CHEMBL3973150 OBDepict H 3 C O O HO N F O N IC50 = 0.5 nM 462.52 CCOc1cc(CC(=O)O)ccc1-c1ccc(F)c2c1CN(C(=O)CCc1ccccn1)CC2 Homo sapiens CHEMBL3887945 assay format
CHEMBL3667639 OBDepict CH 3 N S O O CH 3 Cl O HO CH 3 IC50 = 0.5 nM 445.97 CCN(CC)S(=O)(=O)c1ccc(-c2c(C)c(CC(=O)O)cc3ccc(Cl)cc23)cc1 Homo sapiens CHEMBL3706252 cell-based format
CHEMBL3965073 OBDepict OH O O H N Cl S O O N F Cl IC50 = 0.5 nM 511.36 O=C(O)COc1ccc(Cl)cc1[C@@H]1c2scnc2CCN1C(=O)OCc1cc(Cl)ccc1F Homo sapiens CHEMBL3887431 assay format
CHEMBL3939522 OBDepict HO O O H N Cl S O O N F F IC50 = 0.5 nM 494.9 O=C(O)COc1ccc(Cl)cc1[C@@H]1c2scnc2CCN1C(=O)OCc1cccc(F)c1F Homo sapiens CHEMBL3887431 assay format
CHEMBL1689128 OBDepict HO O O N Cl N H CH 3 O Cl IC50 = 0.5 nM 451.35 C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1C(=O)Cc1ccc(Cl)cc1 Homo sapiens CHEMBL1693030 cell-based format
CHEMBL3908540 OBDepict H 3 C N N O HO H 3 C F N N H Cl Ki = 0.5 nM 440.91 CCc1nn(Cc2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2F)c(CC)c1CC(=O)O Homo sapiens CHEMBL3887728 cell-based format
CHEMBL3685832 OBDepict OH O CH 3 N CH 3 N Cl N H O N H Ki = 0.5 nM 436.9 Cc1nn(Cc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2Cl)c(C)c1CC(=O)O Homo sapiens CHEMBL3705226 assay format
CHEMBL2181751 OBDepict CH 3 N N O OH N H O F F F Ki = 0.5 nM 471.48 CCc1c(CC(=O)O)c(C2CC2)nn1Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL2182589 single protein format
CHEMBL3958283 OBDepict OH O CH 3 N H 3 C N N N H H 3 C CH 3 H 3 C Ki = 0.5 nM 416.53 Cc1nn(Cc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2)c(C)c1CC(=O)O Homo sapiens CHEMBL3887728 cell-based format
CHEMBL3979469 OBDepict OH O CH 3 N CH 3 N F N H F F F Ki = 0.5 nM 445.42 Cc1nn(Cc2ccc(-c3cc4ccc(C(F)(F)F)cc4[nH]3)cc2F)c(C)c1CC(=O)O Homo sapiens CHEMBL3887728 cell-based format
CHEMBL3686017 OBDepict H 3 C N N O HO H 3 C F NH O Cl F F F Ki = 0.5 nM 511.9 CCc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2F)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3685944 OBDepict OH O CH 3 N CH 3 N N H O O Cl Cl Ki = 0.5 nM 462.33 Cc1nn(Cc2ccc(NC(=O)OCc3ccc(Cl)c(Cl)c3)cc2)c(C)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format
CHEMBL3685898 OBDepict H 3 C N N O HO H 3 C N H O Ki = 0.5 nM 445.56 CCc1nn(Cc2ccc(NC(=O)c3cccc4c3CCCC4)cc2)c(CC)c1CC(=O)O Homo sapiens CHEMBL3705511 cell-based format