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P08588 | ADRB1_HUMAN | Beta-1 adrenergic receptor (ADRB1)

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
CHEMBL2011218 OBDepict F O N H HN O N H OH H O N IC50 = 0.04 nM 416.45 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1cccc(OCCF)c1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL2011226 OBDepict N O OH H N H N H N H O N I IC50 = 0.05 nM 481.29 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(I)nc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL2011227 OBDepict N O OH H N H N H N H O N Br IC50 = 0.05 nM 434.29 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(Br)nc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL2011216 OBDepict F O N H N H O N H OH H O N IC50 = 0.08 nM 416.45 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCF)cc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL1084707 OBDepict H 3 C O O N O N OH O N H Ki = 0.1 nM 563.65 COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC1)C2=O Homo sapiens CHEMBL1120617 cell-based format
CHEMBL2011215 OBDepict N O OH H N H N H N H O F IC50 = 0.1 nM 372.4 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(F)cc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL2011224 OBDepict F O N N H N H O N H OH H O N IC50 = 0.1 nM 417.44 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCF)nc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL723 OBDepict H 3 C O O N H HO O N H Ki = 0.103 nM 406.48 COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 Homo sapiens CHEMBL1909091 cell membrane format
CHEMBL2011213 OBDepict CH 3 O N H N H O N H OH H O N IC50 = 0.11 nM 384.44 COc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL2011235 OBDepict N O OH H N H N H O F IC50 = 0.14 nM 371.41 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Cc1ccc(F)cc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL723 OBDepict H 3 C O O N H HO O N H IC50 = 0.178 nM 406.48 COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 Homo sapiens CHEMBL1909091 cell membrane format
CHEMBL2011214 OBDepict N O OH H N H N H N H O F IC50 = 0.2 nM 372.4 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccccc1F Homo sapiens CHEMBL2015334 cell-based format
CHEMBL2011217 OBDepict F O N H NH O N H HO H O N IC50 = 0.25 nM 430.48 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(OCCCF)cc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL36060 OBDepict H HO O N H CH 3 CH 3 CH 3 N N OH H Ki = 0.25 nM 279.34 CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(O)nc12 Homo sapiens CHEMBL822478 single protein format
CHEMBL2011225 OBDepict N O OH H N H N H N H O N F IC50 = 0.3 nM 373.39 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(F)nc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL2011228 OBDepict N O OH H N H N H N H O N N Br IC50 = 0.35 nM 435.28 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1cnc(Br)cn1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL117405 OBDepict H 3 C NH CH 3 OH H O N H Ki = 0.434 nM 248.33 CC(C)NC[C@H](O)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL1909091 cell membrane format
CHEMBL500 OBDepict OH O HN CH 3 CH 3 N H Ki = 0.52 nM 248.33 CC(C)NCC(O)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL899646 single protein format
CHEMBL117405 OBDepict H 3 C NH CH 3 OH H O N H IC50 = 0.752 nM 248.33 CC(C)NC[C@H](O)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL1909091 cell membrane format
CHEMBL3323658 OBDepict O S N H OH HO H HN H H Ki = 0.8 nM 398.53 O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3CCc3ccccc3)c2s1 Homo sapiens CHEMBL3378138 cell-based format
CHEMBL1221680 OBDepict O S N H OH HO H HN H H O Ki = 0.9 nM 400.5 O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3OCc3ccccc3)c2s1 Homo sapiens CHEMBL1227593 single protein format
CHEMBL500 OBDepict OH O HN CH 3 CH 3 N H IC50 = 0.921 nM 248.33 CC(C)NCC(O)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL1909091 cell membrane format
CHEMBL2011222 OBDepict N O OH H N H N H N H O F O OH IC50 = 1.0 nM 416.41 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)c(F)c1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL1082501 OBDepict HO N O N H N Ki = 1.0 nM 415.54 OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 Homo sapiens CHEMBL1120617 cell-based format
CHEMBL452861 OBDepict H 3 C HN CH 3 HO H O Ki = 1.102 nM 259.35 CC(C)NC[C@H](O)COc1cccc2ccccc12 Homo sapiens CHEMBL1909091 cell membrane format
CHEMBL280822 OBDepict OH O N H O N N H 3 C HO O H 2 N F F F Ki = 1.2 nM 494.47 Cn1cc(C(F)(F)F)nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(C(N)=O)c2)cc1 Homo sapiens CHEMBL4402769 cell-based format
CHEMBL290313 OBDepict OH O N H N H N H S O O S Cl O O NH 2 O Ki = 1.4 nM 533.03 NS(=O)(=O)c1cc(S(=O)(=O)NCCNCC(O)COc2cccc3c2CCC(=O)N3)ccc1Cl Homo sapiens CHEMBL820727 assay format
CHEMBL1221637 OBDepict O S N H OH HO H HN CH 3 H Ki = 1.4 nM 380.47 C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 Homo sapiens CHEMBL1227593 single protein format
CHEMBL1221541 OBDepict H HO N H S N CH 3 H OH O H Ki = 1.5 nM 336.46 C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 Homo sapiens CHEMBL1227593 single protein format
CHEMBL2011219 OBDepict F NH H 3 C N H N H O N H OH H O N IC50 = 1.5 nM 429.5 CC(CF)Nc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL499 OBDepict H OH O N H N CH 3 H 3 C CH 3 S N N O Ki = 1.503 nM 316.43 CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 Homo sapiens CHEMBL1909091 cell membrane format
CHEMBL1221861 OBDepict Cl S NH HO H S N OH O H Ki = 1.7 nM 396.92 O=c1[nH]c2c(O)ccc([C@@H](O)CNCCSc3ccc(Cl)cc3)c2s1 Homo sapiens CHEMBL1227593 single protein format
CHEMBL4285281 OBDepict H 3 C O O H 3 C H N H H HO IC50 = 1.7 nM 297.35 COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 Homo sapiens CHEMBL4258827 single protein format
CHEMBL24 OBDepict HO O HN CH 3 H 3 C O H 2 N IC50 = 1.77 nM 266.34 CC(C)NCC(O)COc1ccc(CC(N)=O)cc1 Homo sapiens CHEMBL884281 single protein format
CHEMBL1221590 OBDepict O S N H OH OH H N H H 3 C H 3 C Ki = 1.8 nM 358.46 CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 Homo sapiens CHEMBL1227593 single protein format
CHEMBL839 OBDepict HO O HN H 3 C H 3 C CH 3 N H O Ki = 1.9 nM 292.38 CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2 Homo sapiens CHEMBL820727 assay format
CHEMBL2088201 OBDepict H 3 C CH 3 CH 3 NH HO H N OH H O Ki = 1.9 nM 406.53 CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 Homo sapiens CHEMBL2091585 single protein format
CHEMBL452861 OBDepict H 3 C HN CH 3 HO H O IC50 = 1.908 nM 259.35 CC(C)NC[C@H](O)COc1cccc2ccccc12 Homo sapiens CHEMBL1909091 cell membrane format
CHEMBL1221589 OBDepict O S N H OH OH H N H Ki = 2.0 nM 344.44 O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCc3ccccc3)c2s1 Homo sapiens CHEMBL1227593 single protein format
CHEMBL2011221 OBDepict N O F OH H N H N H N H O O OH IC50 = 2.0 nM 416.41 N#Cc1ccc(F)cc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL2011223 OBDepict CH 3 O N H NH O N H HO H O N F IC50 = 2.0 nM 416.45 CCOc1ccc(NC(=O)NCCNC[C@H](O)COc2cccc(F)c2C#N)cc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL27 OBDepict HO O HN CH 3 H 3 C Ki = 2.3 nM 259.35 CC(C)NCC(O)COc1cccc2ccccc12 Homo sapiens CHEMBL820727 assay format
CHEMBL393648 OBDepict H N O OH H N H Ki = 2.37 nM 288.39 O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL899646 single protein format
CHEMBL499 OBDepict H OH O N H N CH 3 H 3 C CH 3 S N N O IC50 = 2.603 nM 316.43 CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 Homo sapiens CHEMBL1909091 cell membrane format
CHEMBL2011234 OBDepict N O OH H N H N H O N F IC50 = 3.0 nM 372.4 N#Cc1ccccc1OC[C@@H](O)CNCCCC(=O)Nc1ccc(F)nc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL1082500 OBDepict CH 3 O N OH O N H Ki = 3.4 nM 444.58 COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 Homo sapiens CHEMBL1120617 cell-based format
CHEMBL177442 OBDepict H HO O N H N N N OH H S O N N H N HN CH 3 H 3 C Ki = 3.8 nM 578.7 CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 Homo sapiens CHEMBL650089 single protein format
CHEMBL1221587 OBDepict O S N H OH OH H N H Ki = 3.8 nM 330.41 O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3ccccc3)c2s1 Homo sapiens CHEMBL1227593 single protein format
CHEMBL1201237 OBDepict H OH O N H CH 3 CH 3 CH 3 O Ki = 3.985 nM 291.39 CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O Homo sapiens CHEMBL1909091 cell membrane format
CHEMBL3323670 OBDepict H 3 C O HN OH H S N OH O H Ki = 4.3 nM 402.52 CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 Homo sapiens CHEMBL3378138 cell-based format
CHEMBL266195 OBDepict CH 2 O OH N H CH 3 H 3 C IC50 = 4.88 nM 249.35 C=CCc1ccccc1OCC(O)CNC(C)C Homo sapiens CHEMBL650687 single protein format
CHEMBL2011236 OBDepict N O OH H N H N H S O O F IC50 = 5.0 nM 393.44 N#Cc1ccccc1OC[C@@H](O)CNCCNS(=O)(=O)c1ccccc1F Homo sapiens CHEMBL2015334 cell-based format
CHEMBL289390 OBDepict OH O N H S N H N H S O O S Cl O O NH 2 O Ki = 5.2 nM 551.07 NS(=O)(=O)c1cc(S(=O)(=O)NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl Homo sapiens CHEMBL820727 assay format
CHEMBL3323666 OBDepict H 3 C HN OH H S N OH O H Ki = 5.5 nM 372.49 CCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 Homo sapiens CHEMBL3378138 cell-based format
CHEMBL429 OBDepict H 3 C NH OH OH O NH 2 Ki = 5.837 nM 328.41 CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1 Homo sapiens CHEMBL1909091 cell membrane format
CHEMBL3323667 OBDepict H HO NH S N OH O H CH 3 CH 3 Ki = 6.1 nM 386.52 CC(C)Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 Homo sapiens CHEMBL3378138 cell-based format
CHEMBL276659 OBDepict OH O OH H N H N H O IC50 = 6.7 nM 406.48 O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 Homo sapiens CHEMBL649973 cell-based format
CHEMBL1201237 OBDepict H OH O N H CH 3 CH 3 CH 3 O IC50 = 6.9 nM 291.39 CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O Homo sapiens CHEMBL1909091 cell membrane format
CHEMBL1221683 OBDepict O S N H OH OH H N H H H Ki = 6.9 nM 362.5 O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@H]3C3CCCC3)c2s1 Homo sapiens CHEMBL1227593 single protein format
CHEMBL1084772 OBDepict OH N O N N H O O Ki = 7.0 nM 533.63 O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 Homo sapiens CHEMBL1120617 cell-based format
CHEMBL38532 OBDepict OH O N H S N H N H O O S Cl O O NH 2 Ki = 7.4 nM 515.01 NS(=O)(=O)c1cc(C(=O)NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl Homo sapiens CHEMBL820727 assay format
CHEMBL43968 OBDepict OH O NH S HN N H O S Cl O O NH 2 Ki = 7.8 nM 487.0 NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3c2SCC(=O)N3)ccc1Cl Homo sapiens CHEMBL820727 assay format
CHEMBL3323668 OBDepict CH 3 NH HO H S N OH O H Ki = 7.9 nM 386.52 CCCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 Homo sapiens CHEMBL3378138 cell-based format
CHEMBL236514 OBDepict H N O OH H NH Ki = 7.92 nM 340.47 O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 Homo sapiens CHEMBL899646 single protein format
CHEMBL1221804 OBDepict CH 3 N HN HO H S N HO O H Ki = 8.4 nM 373.48 CN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccccc1 Homo sapiens CHEMBL1227593 single protein format
CHEMBL1221543 OBDepict H OH N H S N H 3 C CH 3 H 3 C CH 3 H 3 C OH O H Ki = 9.2 nM 338.47 CC(C)(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 Homo sapiens CHEMBL1227593 single protein format
CHEMBL429 OBDepict H 3 C NH OH OH O NH 2 IC50 = 10.0 nM 328.41 CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1 Homo sapiens CHEMBL1909091 cell membrane format
CHEMBL274782 OBDepict H 3 C O NH H 3 C H OH H O HO IC50 = 10.0 nM 345.44 COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 Homo sapiens CHEMBL649972 cell-based format
CHEMBL2011233 OBDepict N O OH H N H N H O N F IC50 = 10.0 nM 358.37 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)c1ccc(F)nc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL2011230 OBDepict F N N N N N H N H O HN OH H O N IC50 = 10.0 nM 392.4 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1nnn(CCF)n1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL1083668 OBDepict OH N O O CH 3 H 3 C Ki = 12.0 nM 279.38 CC(C)c1ccccc1OCC(O)CN1CCOCC1 Homo sapiens CHEMBL1120617 cell-based format
CHEMBL3323669 OBDepict CH 3 O HN OH H S N OH O H Ki = 13.0 nM 402.52 CCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 Homo sapiens CHEMBL3378138 cell-based format
CHEMBL1082828 OBDepict CH 3 O O N OH O N H Ki = 13.0 nM 458.56 COc1ccc(C(=O)C2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 Homo sapiens CHEMBL1120617 cell-based format
CHEMBL1086542 OBDepict HO N O N H Ki = 14.0 nM 414.55 OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1 Homo sapiens CHEMBL1120617 cell-based format
CHEMBL12994 OBDepict OH N H H 3 C H HO H O HO IC50 = 15.0 nM 331.41 C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 Homo sapiens CHEMBL649973 cell-based format
CHEMBL40297 OBDepict OH O N H N H S Cl O O NH 2 Ki = 15.0 nM 449.96 NS(=O)(=O)c1cc(NCCNCC(O)COc2cccc3ccccc23)ccc1Cl Homo sapiens CHEMBL820727 assay format
CHEMBL1221636 OBDepict O S N H HO HO H N H Ki = 15.0 nM 358.46 O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCCc3ccccc3)c2s1 Homo sapiens CHEMBL1227593 single protein format
CHEMBL1082827 OBDepict HO N O N O H Ki = 16.0 nM 428.53 O=C(c1ccccc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 Homo sapiens CHEMBL1120617 cell-based format
CHEMBL1221803 OBDepict O S N H OH OH H N H O Ki = 17.8 nM 346.41 O=c1[nH]c2c(O)ccc([C@@H](O)CNCCOc3ccccc3)c2s1 Homo sapiens CHEMBL1227593 single protein format
CHEMBL1221682 OBDepict O S N H OH OH H N H H H Ki = 17.8 nM 362.5 O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 Homo sapiens CHEMBL1227593 single protein format
CHEMBL27 OBDepict HO O HN CH 3 H 3 C IC50 = 18.0 nM 259.35 CC(C)NCC(O)COc1cccc2ccccc12 Homo sapiens CHEMBL650688 single protein format
CHEMBL3323654 OBDepict O S N H OH OH H N H H H Ki = 18.0 nM 362.5 O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3C3CCCC3)c2s1 Homo sapiens CHEMBL3378138 cell-based format
CHEMBL4285281 OBDepict H 3 C O O H 3 C H N H H HO Ki = 19.0 nM 297.35 COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 Homo sapiens CHEMBL4258840 single protein format
CHEMBL2011232 OBDepict N O OH H N H N H N O O IC50 = 20.0 nM 348.4 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)N1CCOCC1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL2011220 OBDepict N O F OH H N H N H N H O O OH IC50 = 21.0 nM 416.41 N#Cc1c(F)cccc1OC[C@@H](O)CNCCNC(=O)Nc1ccc(C(=O)O)cc1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL3323671 OBDepict H 3 C CH 3 NH HO H S N OH O H Ki = 21.0 nM 358.46 Cc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1C Homo sapiens CHEMBL3378138 cell-based format
CHEMBL387852 OBDepict CH 3 O O O N H H 3 C H HO H O N Br Ki = 23.2 nM 427.3 CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 Homo sapiens CHEMBL920282 cell-based format
CHEMBL446609 OBDepict OH O S O N H HN CH 3 H 3 C CH 3 Ki = 24.0 nM 310.42 CC(C)(C)Nc1cccc2c1SC(OCCCO)C(=O)N2 Homo sapiens CHEMBL820727 assay format
CHEMBL13102 OBDepict CH 3 N H O N H HO H O HO IC50 = 25.0 nM 344.41 CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Homo sapiens CHEMBL649973 cell-based format
CHEMBL2011229 OBDepict N O HO H N H N H NH O N S IC50 = 26.0 nM 361.43 N#Cc1ccccc1OC[C@@H](O)CNCCNC(=O)Nc1nccs1 Homo sapiens CHEMBL2015334 cell-based format
CHEMBL357995 OBDepict O O O N H CH 3 CH 3 CH 3 N H 3 C H Ki = 27.0 nM 380.49 Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 Homo sapiens CHEMBL1909091 cell membrane format
CHEMBL1083368 OBDepict OH N O N N H O O Ki = 27.0 nM 483.57 O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]ccc23)CC1 Homo sapiens CHEMBL1120617 cell-based format
CHEMBL3323665 OBDepict CH 3 HN OH H S N OH O H Ki = 28.0 nM 372.49 CCCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 Homo sapiens CHEMBL3378138 cell-based format
CHEMBL305153 OBDepict H HO HN O N CH 3 CH 3 H 3 C IC50 = 29.4 nM 324.42 CC(C)(C)NC[C@H](O)CON=C1c2ccccc2-c2ccccc21 Homo sapiens CHEMBL650687 single protein format
CHEMBL3323659 OBDepict O S N H HO HO H HN H H Ki = 30.0 nM 370.47 O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3c3ccccc3)c2s1 Homo sapiens CHEMBL3378138 cell-based format
CHEMBL1258599 OBDepict OH O N H N N S N Ki = 30.0 nM 384.51 OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1 Homo sapiens CHEMBL1261322 cell-based format
CHEMBL41214 OBDepict OH N O N S Cl O O NH 2 Ki = 31.0 nM 476.0 NS(=O)(=O)c1cc(N2CCN(CC(O)COc3cccc4ccccc34)CC2)ccc1Cl Homo sapiens CHEMBL820727 assay format
CHEMBL1221862 OBDepict CH 3 N NH CH 3 HO H S N OH O H Ki = 31.3 nM 381.54 CCCCN(CCCC)CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 Homo sapiens CHEMBL1227593 single protein format
CHEMBL1086077 OBDepict HO N O N O H F Ki = 32.0 nM 446.52 O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 Homo sapiens CHEMBL1120617 cell-based format
CHEMBL1258025 OBDepict OH O N H N N N S S Ki = 33.0 nM 466.63 OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1 Homo sapiens CHEMBL1261322 cell-based format