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P41597 | CCR2_HUMAN | C-C chemokine receptor type 2 (CCR2)

3D structures mapped by conservation among orthologs

[ 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
CHEMBL18442 OBDepict HN N H N NH N N H HN HN IC50 = 0.09 nM 502.8 c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1 Homo sapiens CHEMBL977796 cell-based format
CHEMBL258205 OBDepict OH N N O N H Cl Cl IC50 = 0.2 nM 526.51 O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 Homo sapiens CHEMBL932555 single protein format
CHEMBL3263286 OBDepict H 3 C N H O N H H O N O O F F F IC50 = 0.25 nM 557.61 CNC(=O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4COc5ccc(C(F)(F)F)cc5C4)C3)CC2)c1 Homo sapiens CHEMBL3268526 cell-based format
CHEMBL1090893 OBDepict CH 3 N H H 3 C CH 3 H H N S O O O H NH O F F F IC50 = 0.3 nM 593.71 CCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 Homo sapiens CHEMBL1104428 cell-based format
CHEMBL3233186 OBDepict CH 3 N H H 3 C CH 3 H H N S O O H 3 C H 3 C O H NH O F F F IC50 = 0.34 nM 545.67 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 Homo sapiens CHEMBL3243550 single protein format
CHEMBL497202 OBDepict CH 3 S S O O H H NH H N H 3 C CH 3 O HN O F F F IC50 = 0.37 nM 571.69 CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 Homo sapiens CHEMBL1001496 single protein format
CHEMBL4483373 OBDepict NH 2 N N N N O H Cl Cl Ki = 0.4 nM 350.21 Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL4544504 OBDepict NH 2 N N N N O H H 3 C CH 3 Br Cl Ki = 0.4 nM 396.68 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL4457723 OBDepict CH 3 N H CH 3 CH 3 H HN H N S O O H 3 C O H HN N N F F F IC50 = 0.4 nM 542.63 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NS(C)(=O)=O)C1 Homo sapiens CHEMBL4339723 single protein format
CHEMBL1092678 OBDepict CH 3 S O O H H N H N CH 3 O H 3 C CH 3 H N H O F F F IC50 = 0.4 nM 593.71 Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 Homo sapiens CHEMBL1104428 cell-based format
CHEMBL3577948 OBDepict CH 3 CH 3 H H N H N CH 3 O H 3 C CH 3 H N H N N F F F IC50 = 0.4 nM 491.6 CC(C)[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O Homo sapiens CHEMBL3579778 single protein format
CHEMBL2029422 OBDepict O N NH H N H O H F F F OH N N N IC50 = 0.5 nM 568.6 O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL2032551 single protein format
CHEMBL3233187 OBDepict CH 3 N H H 3 C CH 3 H H N S O O H 3 C H 3 C O H NH O CH 3 CH 3 CH 3 IC50 = 0.5 nM 533.78 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 Homo sapiens CHEMBL3243550 single protein format
CHEMBL3577946 OBDepict CH 3 H H N H N CH 3 O H 3 C CH 3 H N H N N F F F IC50 = 0.5 nM 477.58 CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O Homo sapiens CHEMBL3579778 single protein format
CHEMBL3305901 OBDepict H 3 C O H O H N H H CH 3 CH 3 N O N F F F Ki = 0.55 nM 469.55 CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1 Homo sapiens CHEMBL3418234 cell-based format
CHEMBL257191 OBDepict HO N N O N H F F IC50 = 0.6 nM 493.6 O=C(/C=C/c1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 Homo sapiens CHEMBL932555 single protein format
CHEMBL4548396 OBDepict NH 2 N N N N O H H 3 C CH 3 Cl Cl Ki = 0.6 nM 352.23 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL2338392 OBDepict CH 3 O H O H N H N O N CH 3 N HN F Cl Cl Ki = 0.6 nM 526.44 CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(CF)nc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 Homo sapiens CHEMBL2344607 cell-based format
CHEMBL3577945 OBDepict CH 3 H H N H N CH 3 O H 3 C CH 3 H N H N N F F F IC50 = 0.7 nM 491.6 CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O Homo sapiens CHEMBL3579778 single protein format
CHEMBL3233181 OBDepict CH 3 N H CH 3 CH 3 H H N S O O H 3 C O H HN O N H 3 C H 3 C H 3 C IC50 = 0.7 nM 506.71 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](CS(C)(=O)=O)C1 Homo sapiens CHEMBL3243550 single protein format
CHEMBL1091604 OBDepict O N H N H H H O S H N O O CH 3 H 3 C H 3 C F F F IC50 = 0.8 nM 553.65 CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 Homo sapiens CHEMBL1104428 cell-based format
CHEMBL3577933 OBDepict H 3 C OH H NH H N H O NH H 3 C CH 3 H 3 C O N H F F F NH O H 3 C CH 3 IC50 = 0.8 nM 531.62 CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C Homo sapiens CHEMBL3579778 single protein format
CHEMBL1092941 OBDepict F N H O F F F H O N H H S H N O O CH 3 H 3 C H 3 C IC50 = 0.8 nM 597.68 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 Homo sapiens CHEMBL1104428 cell-based format
CHEMBL4470701 OBDepict CH 3 N H CH 3 CH 3 H H N S O O H 3 C O H HN N N F F F IC50 = 0.9 nM 541.64 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](CS(C)(=O)=O)C1 Homo sapiens CHEMBL4339723 single protein format
CHEMBL4571719 OBDepict I N O N H N N NH 2 Ki = 0.9 nM 407.21 Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL4577171 OBDepict Br N O N H N N NH 2 Ki = 0.9 nM 360.21 Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL1290636 OBDepict CH 3 O H N H HN H O N H H O F F F IC50 = 0.95 nM 517.59 CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL1291439 single protein format
CHEMBL495924 OBDepict CH 3 S NH NH N H 3 C O N H O NH 2 F F F IC50 = 0.95 nM 509.6 CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 Homo sapiens CHEMBL953059 single protein format
CHEMBL3233188 OBDepict CH 3 N H H 3 C CH 3 H H N S O O H 3 C CH 3 H 3 C O H NH O F F F IC50 = 0.96 nM 559.7 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 Homo sapiens CHEMBL3243550 single protein format
CHEMBL403889 OBDepict HO N N O N H H 2 N F F F IC50 = 1.0 nM 526.6 Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 Homo sapiens CHEMBL932555 single protein format
CHEMBL3577942 OBDepict H 3 C H H N H N H 3 C O CH 3 H 3 C H N H O HN F F F HN O H 3 C IC50 = 1.0 nM 553.67 CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O Homo sapiens CHEMBL3579778 single protein format
CHEMBL1091605 OBDepict CH 3 N H 3 C H 3 C H H H N S O O O H NH O F F F IC50 = 1.0 nM 579.69 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 Homo sapiens CHEMBL1104428 cell-based format
CHEMBL404904 OBDepict HO N N O N H OH F F F IC50 = 1.0 nM 527.59 O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 Homo sapiens CHEMBL932555 single protein format
CHEMBL1951766 OBDepict O N H N H H N O H F F F OH CH 3 IC50 = 1.0 nM 503.57 Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 Homo sapiens CHEMBL1953521 single protein format
CHEMBL4442783 OBDepict H 3 C N H O H H N H N CH 3 O H 3 C CH 3 H N H N N F F F IC50 = 1.1 nM 506.57 CC(=O)N[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O Homo sapiens CHEMBL4339723 single protein format
CHEMBL3233185 OBDepict CH 3 S O O H H N H N CH 3 O H 3 C CH 3 H N H O IC50 = 1.1 nM 539.74 CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(-c3ccccc3)c2)C1=O Homo sapiens CHEMBL3243550 single protein format
CHEMBL3577932 OBDepict H 3 C HO H HN H NH O HN CH 3 H 3 C O NH F F F N H O CH 3 CH 3 IC50 = 1.1 nM 517.59 CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C Homo sapiens CHEMBL3579778 single protein format
CHEMBL2088388 OBDepict CH 3 N H H 3 C CH 3 H H N S O O O N N H F F F IC50 = 1.2 nM 576.69 CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 Homo sapiens CHEMBL2089603 single protein format
CHEMBL3233184 OBDepict CH 3 S O O H H N H N CH 3 O H 3 C CH 3 H N H O F F F IC50 = 1.2 nM 531.64 CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O Homo sapiens CHEMBL3243550 single protein format
CHEMBL3233180 OBDepict CH 3 N H CH 3 CH 3 H H N S O O H 3 C O H HN O H 3 C H 3 C H 3 C IC50 = 1.2 nM 505.73 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(C)(=O)=O)C1 Homo sapiens CHEMBL3243550 single protein format
CHEMBL3233189 OBDepict CH 3 N H H 3 C CH 3 H H N S O O H 3 C CH 3 H 3 C O H NH O O F F F IC50 = 1.2 nM 575.69 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 Homo sapiens CHEMBL3243550 single protein format
CHEMBL3417124 OBDepict H 3 C O O H 3 C N H H CH 3 H 3 C N O F F F Ki = 1.2 nM 530.63 COc1cc2c(cc1OC)C(N[C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 Homo sapiens CHEMBL3418234 cell-based format
CHEMBL226066 OBDepict O N H H 3 C H N H CH 3 F F F F F F IC50 = 1.3 nM 550.59 C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 Homo sapiens CHEMBL905758 cell-based format
CHEMBL4764460 OBDepict H 3 C N H O H H N H N H O H 3 C H 3 C CH 3 H N H O N CH 3 CH 3 H 3 C IC50 = 1.3 nM 471.65 CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O Homo sapiens CHEMBL4715393 tissue-based format
CHEMBL428602 OBDepict F N H N H O HO CH 3 CH 3 F F F F F F IC50 = 1.3 nM 574.58 CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 Homo sapiens CHEMBL944858 cell-based format
CHEMBL502793 OBDepict H 3 C N H CH 3 H H HN S O O S H 3 C O NH O F F F IC50 = 1.3 nM 599.74 CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 Homo sapiens CHEMBL1001496 single protein format
CHEMBL3233190 OBDepict F N H O F F F H O N H H S H N O O H 3 C H 3 C CH 3 CH 3 H 3 C H 3 C IC50 = 1.3 nM 577.69 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 Homo sapiens CHEMBL3243550 single protein format
CHEMBL502247 OBDepict CH 3 S S O O H H N H H N CH 3 O H 3 C CH 3 HN O F F F IC50 = 1.3 nM 599.74 CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 Homo sapiens CHEMBL1001496 single protein format
CHEMBL4517518 OBDepict Cl N O N H N N NH 2 Ki = 1.3 nM 315.76 Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL226065 OBDepict O N H H H N H CH 3 F F F F F F IC50 = 1.4 nM 536.56 C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 Homo sapiens CHEMBL905758 cell-based format
CHEMBL4465351 OBDepict CH 3 N H CH 3 CH 3 H N H N S H 3 C O O H 3 C O H HN O F F F IC50 = 1.4 nM 532.63 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](N(C)S(C)(=O)=O)C1 Homo sapiens CHEMBL4339723 single protein format
CHEMBL272369 OBDepict F N H F F F O CH 3 H 3 C H N H H 3 C IC50 = 1.4 nM 528.63 CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 Homo sapiens CHEMBL931979 cell-based format
CHEMBL3263282 OBDepict O N H O H N N F F F IC50 = 1.5 nM 499.58 O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCO[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 Homo sapiens CHEMBL3268526 cell-based format
CHEMBL494191 OBDepict CH 3 O N H H CH 3 H 3 C NH O F F F F F F IC50 = 1.5 nM 494.52 CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 Homo sapiens CHEMBL960972 cell-based format
CHEMBL4572833 OBDepict Br N O N H N N H 2 N Ki = 1.5 nM 360.21 Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL4531005 OBDepict NH 2 N N N N O H H 3 C CH 3 Cl Cl Ki = 1.6 nM 352.23 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1Cl Homo sapiens CHEMBL4324717 cell-based format
CHEMBL3417117 OBDepict Cl N H H CH 3 CH 3 N O F F F Ki = 1.6 nM 505.02 CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(Cl)ccc32)C1 Homo sapiens CHEMBL3418234 cell-based format
CHEMBL4438407 OBDepict Cl N O N H N N NH 2 Ki = 1.6 nM 343.82 Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL4463626 OBDepict Cl N O N H N N Ki = 1.7 nM 300.75 O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL3577943 OBDepict H 3 C H H N H N H 3 C O CH 3 H 3 C H N H O HN F F F HN O H 3 C CH 3 IC50 = 1.7 nM 567.7 CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O Homo sapiens CHEMBL3579778 single protein format
CHEMBL4548107 OBDepict Cl N O N H N N H 2 N Ki = 1.8 nM 315.76 Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL496343 OBDepict CH 3 S N H O NH N H 3 C O N H O NH 2 F F F IC50 = 1.8 nM 523.58 CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 Homo sapiens CHEMBL953059 single protein format
CHEMBL3233178 OBDepict CH 3 N H CH 3 CH 3 H H N S O O H 3 C O H HN O F F F IC50 = 1.8 nM 517.61 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 Homo sapiens CHEMBL3243550 single protein format
CHEMBL4450273 OBDepict Cl N O N H 3 C CH 3 H N N NH 2 Ki = 1.9 nM 317.78 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL2088380 OBDepict N S O O H H N H H N H 3 C O H 3 C CH 3 N N H F F F IC50 = 1.9 nM 575.66 CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C#N)cc2)C1 Homo sapiens CHEMBL2089603 single protein format
CHEMBL437359 OBDepict F HN F F F O H N H CH 3 IC50 = 1.9 nM 526.62 C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 Homo sapiens CHEMBL889104 cell-based format
CHEMBL4463290 OBDepict CH 3 N H CH 3 CH 3 H HN H N S O O H 3 C O H HN O F F F IC50 = 1.9 nM 518.6 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](NS(C)(=O)=O)C1 Homo sapiens CHEMBL4339723 single protein format
CHEMBL2088389 OBDepict CH 3 N H H 3 C CH 3 H H N S O O O N N H F F F IC50 = 1.9 nM 590.71 CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 Homo sapiens CHEMBL2089603 single protein format
CHEMBL3417237 OBDepict Br H H 3 C H N H H CH 3 CH 3 N O F F F Ki = 2.0 nM 563.5 CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@@H](C)c3cc(Br)ccc32)C1 Homo sapiens CHEMBL3418234 cell-based format
CHEMBL3417231 OBDepict Br CH 3 N H H CH 3 H 3 C N O F F F Ki = 2.0 nM 563.5 CC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2ccc(Br)cc21 Homo sapiens CHEMBL3418234 cell-based format
CHEMBL4127538 OBDepict H 3 C O O N H N O N CH 3 N HN Cl Cl Ki = 2.0 nM 494.42 COC1COCCC1NC1CCN(C(=O)c2ncnc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 Homo sapiens CHEMBL4124058 single protein format
CHEMBL41275 OBDepict CH 3 NH O + N CH 3 CH 3 O _ Cl Ki = 2.0 nM 531.14 Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCC3)cc1.[Cl-] Homo sapiens CHEMBL3591342 cell-based format
CHEMBL255302 OBDepict OH N N O N H HN O CH 3 F F F IC50 = 2.0 nM 568.64 CC(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 Homo sapiens CHEMBL932555 single protein format
CHEMBL3671253 OBDepict CH 3 O O N H O N O F F F IC50 = 2.0 nM 468.52 COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 Homo sapiens CHEMBL3705526 assay format
CHEMBL3263270 OBDepict CH 3 O O N H H H O N O F F F IC50 = 2.0 nM 468.52 COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 Homo sapiens CHEMBL3268526 cell-based format
CHEMBL402442 OBDepict OH N N O N H Br F IC50 = 2.0 nM 554.5 O=C(/C=C/c1ccc(F)c(Br)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 Homo sapiens CHEMBL932555 single protein format
CHEMBL502516 OBDepict CH 3 S S O O H H N H H NH O CH 3 H 3 C N H O F F F IC50 = 2.05 nM 585.71 CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 Homo sapiens CHEMBL1001496 single protein format
CHEMBL4569807 OBDepict Br Br N O N CH 3 H 3 C H N N H 2 N Ki = 2.1 nM 441.13 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL2018388 OBDepict CH 3 HO H N H H N H O N H O CH 3 NH CH 3 F F F N O IC50 = 2.1 nM 577.65 CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCC1 Homo sapiens CHEMBL2019386 single protein format
CHEMBL4516788 OBDepict Cl Cl N O N CH 3 H 3 C H N N H 2 N Ki = 2.2 nM 352.23 CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL3417111 OBDepict CH 3 CH 3 N O H N H F F F Ki = 2.2 nM 470.58 CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccccc32)C1 Homo sapiens CHEMBL3418234 cell-based format
CHEMBL3577944 OBDepict CH 3 H H N H N CH 3 O H 3 C CH 3 H N H N N Cl IC50 = 2.2 nM 458.05 CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O Homo sapiens CHEMBL3579778 single protein format
CHEMBL3233179 OBDepict CH 3 N H CH 3 CH 3 H H N S O O H 3 C O H HN O N F F F IC50 = 2.2 nM 518.6 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)n3)C2=O)[C@H](CS(C)(=O)=O)C1 Homo sapiens CHEMBL3243550 single protein format
CHEMBL3577947 OBDepict CH 3 N H H 3 C H 3 C H CH 3 H N O H N H N N F F F IC50 = 2.2 nM 463.55 CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](C)C1 Homo sapiens CHEMBL3579778 single protein format
CHEMBL4474757 OBDepict CH 3 N H O N N N NH 2 Cl Ki = 2.3 nM 331.81 CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL3417118 OBDepict Br N H H CH 3 CH 3 N O F F F Ki = 2.3 nM 549.48 CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(Br)ccc32)C1 Homo sapiens CHEMBL3418234 cell-based format
CHEMBL1289203 OBDepict CH 3 O H N H HN H O N H HO O CH 3 F F F IC50 = 2.3 nM 547.62 CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL1291439 single protein format
CHEMBL1289083 OBDepict CH 3 O H N H HN H O N H HO O F F F IC50 = 2.3 nM 533.59 CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL1291439 single protein format
CHEMBL3417235 OBDepict Br H N H H H 3 C CH 3 N O F F F Ki = 2.4 nM 549.48 CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2CCc3cc(Br)ccc32)C1 Homo sapiens CHEMBL3418234 cell-based format
CHEMBL254355 OBDepict HO N H N O N H F F F IC50 = 2.4 nM 511.59 O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 Homo sapiens CHEMBL932555 single protein format
CHEMBL481010 OBDepict CH 3 S NH NH N H 3 C CH 3 O N H O F F F IC50 = 2.4 nM 522.64 CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 Homo sapiens CHEMBL982453 single protein format
CHEMBL1951777 OBDepict O N H N H H N O H F F F OH N CH 3 IC50 = 2.4 nM 504.55 Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 Homo sapiens CHEMBL1953521 single protein format
CHEMBL4567816 OBDepict CH 3 N O N H N N H 2 N Ki = 2.5 nM 295.35 Cc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 Homo sapiens CHEMBL4324717 cell-based format
CHEMBL392748 OBDepict CH 3 O N H N O OH N O F F F IC50 = 2.5 nM 555.6 COc1cccc2c(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c12 Homo sapiens CHEMBL899888 single protein format
CHEMBL3577940 OBDepict O NH N H H H O H N H 3 C CH 3 CH 3 F F F IC50 = 2.5 nM 503.61 CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 Homo sapiens CHEMBL3579778 single protein format
CHEMBL3577937 OBDepict H 3 C H H N H H N CH 3 O H 3 C CH 3 N H O F F F IC50 = 2.5 nM 455.57 CCCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3579778 single protein format
CHEMBL1951769 OBDepict O N H N H H N O H F F F OH N IC50 = 2.6 nM 490.53 O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnc3)CC2)C1 Homo sapiens CHEMBL1953521 single protein format
CHEMBL4781426 OBDepict H 3 C N H O H H N H NH O CH 3 CH 3 H 3 C H N H N N F F F IC50 = 2.7 nM 506.57 CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O Homo sapiens CHEMBL4715393 tissue-based format
CHEMBL2088379 OBDepict H 3 C S O O H H N H H N CH 3 O H 3 C CH 3 N N H F F F IC50 = 2.8 nM 578.7 CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 Homo sapiens CHEMBL2089603 single protein format
CHEMBL1681819 OBDepict H 3 C O H O H HN H CH 3 CH 3 N O H H N O O CH 3 CH 3 CH 3 IC50 = 2.9 nM 465.64 CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)(C(C)C)C1 Homo sapiens CHEMBL1686101 single protein format