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P32246 | CCR1_HUMAN | C-C chemokine receptor type 1 (CCR1)

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
CHEMBL519240 OBDepict NH 2 N N N O H NH H Ki = 0.043 nM 327.43 Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 Homo sapiens CHEMBL947352 single protein format
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 0.081 nM 583.78 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 Homo sapiens CHEMBL4121481 single protein format
CHEMBL519240 OBDepict NH 2 N N N O H NH H IC50 = 0.087 nM 327.43 Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 Homo sapiens CHEMBL947352 single protein format
CHEMBL4464625 OBDepict H 3 C N H H O N S O O CH 3 N N N F IC50 = 0.3 nM 453.5 CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 Homo sapiens CHEMBL4332214 cell-based format
CHEMBL2332933 OBDepict CH 3 HN O O F HO H N O F IC50 = 0.36 nM 432.47 CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 Homo sapiens CHEMBL2340879 cell-based format
CHEMBL3656279 OBDepict H 3 C N H H 3 C HN O H N O H 3 C CH 3 CH 3 H 3 C HO Cl Ki = 0.5 nM 423.99 CC(C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C Homo sapiens CHEMBL3706150 cell-based format
CHEMBL3099947 OBDepict O N H HN O OH OH H N O F IC50 = 0.63 nM 471.53 O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2)NC1CC1 Homo sapiens CHEMBL3102090 cell-based format
CHEMBL2332931 OBDepict CH 3 HN O O F HO H N O Cl IC50 = 0.64 nM 448.92 CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 Homo sapiens CHEMBL2340879 cell-based format
CHEMBL2398747 OBDepict CH 3 H 3 C NH H N O O H 3 C CH 3 OH Cl Ki = 0.7 nM 435.01 CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL3706150 cell-based format
CHEMBL3679659 OBDepict O N H N H CH 3 H H HO CH 3 CH 3 H N O CH 3 H 3 C HO Cl IC50 = 0.7 nM 494.08 C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O Homo sapiens CHEMBL3705351 single protein format
CHEMBL2332940 OBDepict CH 3 HN O O OH H 2 N H N O Cl IC50 = 0.79 nM 445.95 CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 Homo sapiens CHEMBL2340879 cell-based format
CHEMBL3099945 OBDepict O N H HN O OH OH H N O Cl IC50 = 0.89 nM 487.98 O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1 Homo sapiens CHEMBL3102090 cell-based format
CHEMBL331897 OBDepict H 3 C + N N H O O Cl Cl IC50 = 0.9 nM 528.54 CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 Homo sapiens CHEMBL650697 single protein format
CHEMBL2332930 OBDepict CH 3 O O N H O CH 3 HO H N O Cl IC50 = 0.9 nM 460.96 COc1ccc(NC(C)=O)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 Homo sapiens CHEMBL2340879 cell-based format
CHEMBL2391803 OBDepict Cl O N OH H O OH N O Cl H HO IC50 = 0.92 nM 537.44 O=C(c1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 Homo sapiens CHEMBL2396023 cell-based format
CHEMBL2332934 OBDepict CH 3 HN O O HO H N O F IC50 = 0.96 nM 414.48 CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 Homo sapiens CHEMBL2340879 cell-based format
CHEMBL2332932 OBDepict CH 3 HN O O HO H N O Cl IC50 = 0.96 nM 430.93 CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 Homo sapiens CHEMBL2340879 cell-based format
CHEMBL3334824 OBDepict O HN HN H N O H 3 C CH 3 OH CH 3 CH 3 CH 3 H 3 C HO Cl IC50 = 1.0 nM 454.01 CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL3366538 cell-based format
CHEMBL2398717 OBDepict O NH H N O CH 3 H 3 C H 3 C CH 3 OH Cl IC50 = 1.0 nM 420.98 CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL2399021 single protein format
CHEMBL3679651 OBDepict Cl HO CH 3 H 3 C N O H H N H O S O O NH 2 IC50 = 1.0 nM 534.08 CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(S(N)(=O)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3705351 single protein format
CHEMBL3334818 OBDepict O NH NH H N O CH 3 H 3 C H 3 C CH 3 OH Cl IC50 = 1.0 nM 472.03 CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL3366538 cell-based format
CHEMBL232656 OBDepict NH 2 HN O O Cl N O H H 3 C N F Ki = 1.0 nM 434.9 C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O Homo sapiens CHEMBL2184883 single protein format
CHEMBL2391810 OBDepict OH N O O OH HO H N O Cl IC50 = 1.1 nM 517.02 O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCC(O)CC1 Homo sapiens CHEMBL2396023 cell-based format
CHEMBL2398728 OBDepict CH 3 H 3 C NH H N O O H H 3 C CH 3 OH H HO Cl IC50 = 1.1 nM 451.01 CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL2398869 single protein format
CHEMBL2398744 OBDepict H 3 C CH 3 HN O H N O H 3 C CH 3 CH 3 H 3 C HO Cl IC50 = 1.2 nM 437.02 CC(C)CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C Homo sapiens CHEMBL2398869 single protein format
CHEMBL3099942 OBDepict H 3 C N H NH O O OH OH H N O Cl IC50 = 1.3 nM 461.95 CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 Homo sapiens CHEMBL3102090 cell-based format
CHEMBL2391797 OBDepict CH 3 N H 3 C H N O O HO OH H N O Cl IC50 = 1.3 nM 530.07 CN(C)[C@@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 Homo sapiens CHEMBL2396023 cell-based format
CHEMBL3679655 OBDepict O HN H H N O H 3 C CH 3 HO Cl IC50 = 1.3 nM 447.02 CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)C2CCCC2)CC[C@]1(O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3705351 single protein format
CHEMBL2332941 OBDepict CH 3 HN O O OH H 2 N H N O F IC50 = 1.4 nM 429.49 CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1cc(F)ccc1O2 Homo sapiens CHEMBL2340879 cell-based format
CHEMBL3099940 OBDepict Cl O N OH H O NH N O IC50 = 1.4 nM 486.01 O=C(Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCC1 Homo sapiens CHEMBL3102090 cell-based format
CHEMBL2391795 OBDepict OH O N H O HO H N O Cl IC50 = 1.4 nM 472.97 O=C(NC1CC1)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 Homo sapiens CHEMBL2396023 cell-based format
CHEMBL2391939 OBDepict F O N H O HO H N O Cl IC50 = 1.4 nM 474.96 O=C(NC1CC1)c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 Homo sapiens CHEMBL2396023 cell-based format
CHEMBL3679653 OBDepict O HN H H H OH H N O H 3 C CH 3 HO Cl IC50 = 1.5 nM 463.02 CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@H]2CC[C@@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3705351 single protein format
CHEMBL4436541 OBDepict OH O F F F Cl OH CH 3 H 3 C N O N H H 3 C CH 3 O N CH 3 H 3 C IC50 = 1.5 nM 586.05 Cc1cc(C)c(C(=O)NC(C)(C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)cn1.O=C(O)C(F)(F)F Homo sapiens CHEMBL4418422 cell-based format
CHEMBL3679654 OBDepict Cl OH CH 3 CH 3 N O H H N H O O OH IC50 = 1.6 nM 499.01 CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(=O)O)c2)CC[C@]1(O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3705351 single protein format
CHEMBL2398739 OBDepict O HN H N O CH 3 CH 3 CH 3 H 3 C HO Cl IC50 = 1.7 nM 485.07 CC(C)[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL2399021 single protein format
CHEMBL4574123 OBDepict O HN CH 3 CH 3 N O CH 3 CH 3 OH Cl IC50 = 1.7 nM 435.01 CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)C1CCCC1 Homo sapiens CHEMBL4418422 cell-based format
CHEMBL3099944 OBDepict CH 3 O O HN HN O OH H N O Cl IC50 = 1.8 nM 502.01 COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 Homo sapiens CHEMBL3102090 cell-based format
CHEMBL2398737 OBDepict O NH H N O CH 3 H 3 C H 3 C CH 3 OH Cl IC50 = 1.8 nM 457.01 CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL2398869 single protein format
CHEMBL3099943 OBDepict O N H NH O Cl HO OH H N O Cl IC50 = 1.8 nM 522.43 O=C(Nc1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1 Homo sapiens CHEMBL3102090 cell-based format
CHEMBL2391808 OBDepict OH O N O HO H N O Cl IC50 = 1.8 nM 487.0 O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCC1 Homo sapiens CHEMBL2396023 cell-based format
CHEMBL4571977 OBDepict Cl OH H 3 C H 3 C N O N HO H 3 C H 3 C IC50 = 1.8 nM 533.11 CC(C)(O)c1ccc2c(c1)/C(=CCCN1CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C1)c1cccnc1CO2 Homo sapiens CHEMBL4371835 cell-based format
CHEMBL3679656 OBDepict Cl OH CH 3 CH 3 N O H H N H O O NH 2 IC50 = 1.8 nM 498.02 CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(N)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3705351 single protein format
CHEMBL2391793 OBDepict CH 3 N H O O OH HO H N O Cl IC50 = 1.8 nM 446.93 CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 Homo sapiens CHEMBL2396023 cell-based format
CHEMBL2398746 OBDepict H 3 C H 3 C NH H N O O CH 3 CH 3 OH Cl IC50 = 1.8 nM 420.98 CC(C)[C@@H](NC(=O)C1CCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL2399021 single protein format
CHEMBL4476397 OBDepict Cl HO H 3 C CH 3 N O N H CH 3 H 3 C O O NH 2 IC50 = 1.8 nM 486.01 CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccc(C(N)=O)c1 Homo sapiens CHEMBL4418422 cell-based format
CHEMBL2178571 OBDepict H 2 N N O O N H O N Ki = 1.8 nM 584.81 NCC1CCCN(C(=O)c2ccc3c(c2)C(C(=O)NC2CCN(C/C4=C/CCCCCCC4)CC2)c2ccccc2O3)C1 Homo sapiens CHEMBL2184883 single protein format
CHEMBL2391804 OBDepict HO O N O OH H N H OH O Cl IC50 = 1.9 nM 503.0 O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 Homo sapiens CHEMBL2396023 cell-based format
CHEMBL4466344 OBDepict O NH N H H 3 C H H 3 C CH 3 N O CH 3 H 3 C HO Cl OH CH 3 H 3 C IC50 = 1.9 nM 468.04 C[C@H](NC(=O)NC(C)(C)CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O Homo sapiens CHEMBL4418422 cell-based format
CHEMBL2398743 OBDepict H 3 C H 3 C HN O H N O H 3 C CH 3 CH 3 H 3 C HO Cl IC50 = 1.9 nM 423.0 CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C Homo sapiens CHEMBL2398869 single protein format
CHEMBL3334725 OBDepict O HN N H H N O H 3 C CH 3 CH 3 CH 3 OH Cl IC50 = 2.0 nM 450.02 CC(C)[C@@H](NC(=O)NC1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL3366538 cell-based format
CHEMBL3334821 OBDepict O HN HN H N O H 3 C CH 3 OH CH 3 H CH 3 H 3 C HO Cl IC50 = 2.0 nM 439.98 CC(C)[C@@H](NC(=O)NC[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL3366538 cell-based format
CHEMBL3334823 OBDepict O HN HN H N O H 3 C CH 3 OH CH 3 H CH 3 H 3 C HO Cl IC50 = 2.0 nM 439.98 CC(C)[C@@H](NC(=O)NC[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL3366538 cell-based format
CHEMBL3334822 OBDepict O HN H HO CH 3 H N O H 3 C CH 3 CH 3 H 3 C HO Cl IC50 = 2.0 nM 424.97 CC(C)[C@@H](NC(=O)C[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL3366538 cell-based format
CHEMBL34732 OBDepict H 3 C + N N H O O _ I IC50 = 2.0 nM 586.56 CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1.[I-] Homo sapiens CHEMBL843656 single protein format
CHEMBL3334817 OBDepict H 3 C NH H 3 C H NH O H N O CH 3 H 3 C H 3 C CH 3 OH Cl IC50 = 2.0 nM 438.01 CC[C@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C Homo sapiens CHEMBL3366538 cell-based format
CHEMBL2322853 OBDepict CH 3 O Cl N N H H 3 C O N N CH 3 Cl F F F IC50 = 2.0 nM 465.3 COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@@H](C)C2)ccc1Cl Homo sapiens CHEMBL2329311 cell-based format
CHEMBL3334825 OBDepict O HN H N O H 3 C CH 3 OH CH 3 CH 3 CH 3 H 3 C HO Cl IC50 = 2.0 nM 453.02 CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL3366538 cell-based format
CHEMBL4456123 OBDepict F N N N HN O N S O O CH 3 IC50 = 2.0 nM 451.48 CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 Homo sapiens CHEMBL4332214 cell-based format
CHEMBL2332935 OBDepict CH 3 HN O O OH HO H N O Cl IC50 = 2.0 nM 446.93 CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 Homo sapiens CHEMBL2340873 cell-based format
CHEMBL3334728 OBDepict O HN HN H H N O H 3 C CH 3 H OH CH 3 CH 3 OH Cl IC50 = 2.0 nM 466.02 CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL3366538 cell-based format
CHEMBL3679637 OBDepict Cl HO CH 3 H 3 C N O H H HN O IC50 = 2.1 nM 469.03 CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3705351 single protein format
CHEMBL3334816 OBDepict H 3 C NH H 3 C H NH O H N O CH 3 H 3 C H 3 C CH 3 OH Cl Ki = 2.1 nM 438.01 CC[C@@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C Homo sapiens CHEMBL3706150 cell-based format
CHEMBL2398748 OBDepict CH 3 H 3 C NH H N O O H 3 C CH 3 OH Cl IC50 = 2.2 nM 449.04 CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL2399021 single protein format
CHEMBL3099946 OBDepict CH 3 O O HN HN O OH H N O F IC50 = 2.2 nM 485.56 COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 Homo sapiens CHEMBL3102090 cell-based format
CHEMBL4473668 OBDepict Cl OH CH 3 CH 3 N O N H CH 3 CH 3 O N N N N IC50 = 2.2 nM 511.03 CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccc(-n2cnnn2)c1 Homo sapiens CHEMBL4418422 cell-based format
CHEMBL2178569 OBDepict Cl H N H OH H 3 C CH 3 O N O OH Ki = 2.3 nM 519.04 CC1(C)CN(CC/C=C2/c3cc(C(=O)O)ccc3OCc3ncccc32)C[C@H](c2ccc(Cl)cc2)[C@H]1O Homo sapiens CHEMBL2184883 single protein format
CHEMBL2391800 OBDepict F O N O OH H N H OH O Cl IC50 = 2.5 nM 504.99 O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 Homo sapiens CHEMBL2396023 cell-based format
CHEMBL2391938 OBDepict CH 3 O O HN O HO H N O Cl IC50 = 2.5 nM 487.0 COc1ccc(C(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 Homo sapiens CHEMBL2396023 cell-based format
CHEMBL32257 OBDepict O N H O + N CH 3 _ I IC50 = 2.5 nM 572.53 C[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1.[I-] Homo sapiens CHEMBL843656 single protein format
CHEMBL2398747 OBDepict CH 3 H 3 C NH H N O O H 3 C CH 3 OH Cl IC50 = 2.5 nM 435.01 CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL2398869 single protein format
CHEMBL2398749 OBDepict O HN H N O CH 3 H 3 C CH 3 H 3 C HO Cl IC50 = 2.6 nM 515.14 CC(C)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL2399021 single protein format
CHEMBL2332936 OBDepict CH 3 HN O O OH HO H N O F IC50 = 2.6 nM 430.48 CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 Homo sapiens CHEMBL2340873 cell-based format
CHEMBL2398743 OBDepict H 3 C H 3 C HN O H N O H 3 C CH 3 CH 3 H 3 C HO Cl Ki = 2.6 nM 423.0 CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C Homo sapiens CHEMBL3706150 cell-based format
CHEMBL2391937 OBDepict Cl O N OH H O N H O IC50 = 2.8 nM 456.97 O=C(NC1CC1)c1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 Homo sapiens CHEMBL2396023 cell-based format
CHEMBL2398729 OBDepict CH 3 H 3 C NH H N O O H H 3 C CH 3 OH H HO Cl IC50 = 2.9 nM 451.01 CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL2398869 single protein format
CHEMBL2398745 OBDepict H 3 C CH 3 HN H N O O CH 3 H 3 C HO Cl IC50 = 3.0 nM 406.95 CC(C)[C@@H](NC(=O)C1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL2399021 single protein format
CHEMBL3334816 OBDepict H 3 C NH H 3 C H NH O H N O CH 3 H 3 C H 3 C CH 3 OH Cl IC50 = 3.0 nM 438.01 CC[C@@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C Homo sapiens CHEMBL3366538 cell-based format
CHEMBL3334727 OBDepict O HN HN H H N O H 3 C CH 3 H OH CH 3 CH 3 OH Cl IC50 = 3.0 nM 466.02 CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL3366538 cell-based format
CHEMBL3334815 OBDepict O HN HN H H N O H 3 C CH 3 H OH CH 3 CH 3 OH Cl IC50 = 3.0 nM 466.02 CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL3366538 cell-based format
CHEMBL2398722 OBDepict CH 3 H 3 C NH H N O O H H 3 C CH 3 H HO OH Cl IC50 = 3.1 nM 451.01 CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL2398869 single protein format
CHEMBL2391794 OBDepict CH 3 N H O O OH HO H N O F IC50 = 3.2 nM 430.48 CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 Homo sapiens CHEMBL2396023 cell-based format
CHEMBL3099948 OBDepict NH 2 HN O O OH HO H N O Cl IC50 = 3.2 nM 447.92 NC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 Homo sapiens CHEMBL3102090 cell-based format
CHEMBL3099961 OBDepict H 3 C N H NH O O OH OH H N O F IC50 = 3.2 nM 445.49 CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 Homo sapiens CHEMBL3102090 cell-based format
CHEMBL4583778 OBDepict CH 3 O Cl N Cl HN N N O CH 3 HO CH 3 H Cl F F F Ki = 3.46 nM 557.83 COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)[C@@H](C)O)CC2)c(Cl)cc1Cl Homo sapiens CHEMBL4418420 cell-based format
CHEMBL2398769 OBDepict O NH H N O CH 3 H 3 C N H 3 C CH 3 OH Cl IC50 = 3.5 nM 458.0 CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL2398869 single protein format
CHEMBL2398741 OBDepict CH 3 HN O H N O H 3 C CH 3 CH 3 H 3 C HO Cl IC50 = 3.6 nM 394.94 CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C Homo sapiens CHEMBL2398869 single protein format
CHEMBL2398716 OBDepict O HN H HO H 3 C CH 3 N O H 3 C CH 3 CH 3 H 3 C HO Cl Ki = 3.7 nM 439.0 CC(C)[C@@H](NC(=O)CC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL3706150 cell-based format
CHEMBL3334726 OBDepict O HN HN H H N O H 3 C CH 3 H OH CH 3 CH 3 OH Cl IC50 = 4.0 nM 466.02 CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL3366538 cell-based format
CHEMBL4444976 OBDepict CH 3 O Cl N N O N N N N N H IC50 = 4.0 nM 451.92 COc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4cccnc43)CC2)ccc1Cl Homo sapiens CHEMBL4371835 cell-based format
CHEMBL4565880 OBDepict F HN O N N N CH 3 Cl F F F Cl O H 3 C Cl Ki = 4.3 nM 545.79 COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)CF)CC2)c(Cl)cc1Cl Homo sapiens CHEMBL4418420 cell-based format
CHEMBL2398742 OBDepict CH 3 H 3 C NH H N O O H 3 C H 3 C H 3 C CH 3 OH Cl IC50 = 4.4 nM 408.97 CC(C)C(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C Homo sapiens CHEMBL2398869 single protein format
CHEMBL3099941 OBDepict CH 3 N H HN O O O CH 3 HO H N O Cl IC50 = 4.5 nM 475.97 CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 Homo sapiens CHEMBL3102090 cell-based format
CHEMBL2398770 OBDepict CH 3 H 3 C NH H N O O H 3 C CH 3 Cl OH Cl IC50 = 4.7 nM 477.43 CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 Homo sapiens CHEMBL2398869 single protein format
CHEMBL254316 OBDepict F HN O N HO N O CH 3 N H CH 3 H 3 C O N O N CH 3 Ki = 5.0 nM 444.42 Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1 Homo sapiens CHEMBL2184883 single protein format
CHEMBL4450561 OBDepict Br F N O HO O Ki = 5.0 nM 422.29 O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 Homo sapiens CHEMBL4371695 cell-based format
CHEMBL2178570 OBDepict CH 3 HN O O OH HO H 3 C N H N Cl Ki = 5.0 nM 461.99 CC(=O)Nc1ccc(O)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL2184883 single protein format
CHEMBL2322879 OBDepict H 3 C O Cl N F N O N N H 3 C Cl F F F IC50 = 5.0 nM 469.27 COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(F)c1Cl Homo sapiens CHEMBL2329311 cell-based format
CHEMBL2322858 OBDepict H 3 C O Cl N N O N N H 3 C F F F F IC50 = 5.0 nM 434.82 COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(F)c3C)CC2)ccc1Cl Homo sapiens CHEMBL2329311 cell-based format
CHEMBL2391799 OBDepict H 3 C O N O OH H N H OH O Cl IC50 = 5.0 nM 501.02 Cc1ccc(C(=O)N2CC[C@H](O)C2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 Homo sapiens CHEMBL2396023 cell-based format