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P35368 | ADA1B_HUMAN | Alpha-1B adrenergic receptor (ADRA1B)

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
CHEMBL324090 OBDepict CH 3 O O CH 3 N N NH 2 O O CH 3 CH 3 Ki = 0.08 nM 395.46 COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3n1)CC2 Homo sapiens CHEMBL651997 single protein format
CHEMBL3582270 OBDepict CH 3 N CH 3 O O N N N N O N N N H 2 N O O H 3 C H 3 C Ki = 0.1 nM 599.65 CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 Homo sapiens CHEMBL3583291 cell-based format
CHEMBL2 OBDepict CH 3 O O N CH 3 N N H 2 N N O O Ki = 0.32 nM 383.41 COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL651997 single protein format
CHEMBL61483 OBDepict H 3 C O H H N N O N O H S Ki = 0.33 nM 473.6 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(-c5ccccc5)csc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL430717 OBDepict CH 3 O O N CH 3 N N NH 2 N O O O CH 3 H 3 C CH 3 Ki = 0.45 nM 495.58 COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL646250 cell-based format
CHEMBL137598 OBDepict H 3 C O O N CH 3 N N NH 2 N O Ki = 0.46 nM 355.4 COc1cc2nc(N3CCN(c4ccco4)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL646250 cell-based format
CHEMBL836 OBDepict CH 3 O O N H CH 3 H S O O O NH 2 H 3 C Ki = 0.61 nM 408.52 CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1 Homo sapiens CHEMBL648113 single protein format
CHEMBL80730 OBDepict CH 3 O N N N H O N O N CH 3 H 3 C CH 3 Ki = 0.64 nM 489.62 COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816952 single protein format
CHEMBL58956 OBDepict CH 3 O N H O N O N H H O CH 3 Ki = 0.66 nM 421.5 COc1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 Homo sapiens CHEMBL649215 single protein format
CHEMBL293695 OBDepict CH 3 O H H N N O N O H O H 3 C O H 3 C Ki = 0.66 nM 451.52 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)c(OC)ccc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL62028 OBDepict CH 3 O S N O N H O N H H O CH 3 Ki = 0.74 nM 427.53 COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 Homo sapiens CHEMBL649215 single protein format
CHEMBL707 OBDepict CH 3 O O N CH 3 N N NH 2 N O O O Ki = 0.74 nM 451.48 COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL651997 single protein format
CHEMBL310599 OBDepict Cl N N NH O N O CH 3 N H 3 C Ki = 0.75 nM 465.99 CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2Cl)CC1 Homo sapiens CHEMBL816952 single protein format
CHEMBL61598 OBDepict CH 3 O H H N N O N O H N H O H 3 C Ki = 0.84 nM 448.52 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(NC(C)=O)ccc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL440865 OBDepict H 3 C O H H N N O N O H Cl Ki = 0.92 nM 425.92 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(Cl)c4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL8618 OBDepict CH 3 O N N N O O Ki = 0.96 nM 393.49 COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 Homo sapiens CHEMBL891019 cell-based format
CHEMBL445071 OBDepict CH 3 O H H N N O N O H S Ki = 1.01 nM 397.5 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cscc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL62110 OBDepict H 3 C O H H N N O N O H H 3 C Ki = 1.04 nM 405.5 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccc(C)c4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL61491 OBDepict CH 3 O H H N N O N O H Ki = 1.16 nM 391.47 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccccc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL430717 OBDepict CH 3 O O N CH 3 N N NH 2 N O O O CH 3 H 3 C CH 3 IC50 = 1.2 nM 495.58 COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL649213 single protein format
CHEMBL3582270 OBDepict CH 3 N CH 3 O O N N N N O N N N H 2 N O O H 3 C H 3 C IC50 = 1.2 nM 599.65 CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1 Homo sapiens CHEMBL3583291 cell-based format
CHEMBL13735 OBDepict CH 3 O N N N O N O H S Ki = 1.22 nM 386.48 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1 Homo sapiens CHEMBL648996 single protein format
CHEMBL60721 OBDepict CH 3 O H H N N O N O H S H 3 C Ki = 1.28 nM 411.53 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)csc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL431720 OBDepict CH 3 O H H N N O N O H H 3 C H 3 C Ki = 1.32 nM 419.53 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(C)ccc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL77618 OBDepict H 3 C O N Cl N HN O N O H 3 C N CH 3 Ki = 1.44 nM 510.04 COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816952 single protein format
CHEMBL78874 OBDepict CH 3 O N HN N O CH 3 N N O CH 3 Ki = 1.45 nM 475.59 CCC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2OC)CC1 Homo sapiens CHEMBL816952 single protein format
CHEMBL62033 OBDepict N N H O N O N H H O CH 3 Ki = 1.56 nM 416.48 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL137903 OBDepict CH 3 O O N CH 3 N N NH 2 N O Ki = 1.57 nM 497.6 COc1cc2nc(N3CCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL646250 cell-based format
CHEMBL76168 OBDepict CH 3 O N CH 3 N N H N CH 3 O N O H 3 C Ki = 1.58 nM 401.51 COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1 Homo sapiens CHEMBL873168 single protein format
CHEMBL291839 OBDepict CH 3 O H H N N O N O H S Ki = 1.63 nM 397.5 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccsc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL2115086 OBDepict CH 3 O N N O N O H S Ki = 1.63 nM 397.5 COc1cccc2c1CCC1CN(CCn3c(=O)[nH]c4ccsc4c3=O)CC21 Homo sapiens CHEMBL649215 single protein format
CHEMBL369154 OBDepict CH 3 O O N H O N O N H H O CH 3 Ki = 1.64 nM 449.51 COC(=O)c1ccc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)[nH]c2c1 Homo sapiens CHEMBL649215 single protein format
CHEMBL81486 OBDepict CH 3 O N Cl N N H O N N CH 3 Ki = 1.76 nM 453.97 COc1ccc(Cl)cc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816952 single protein format
CHEMBL13903 OBDepict CH 3 O N N N O N O H S Ki = 1.86 nM 462.58 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)CC1 Homo sapiens CHEMBL648996 single protein format
CHEMBL19476 OBDepict H 3 C O O N H 3 C N N H 2 N N H HN O O O CH 3 CH 3 H 3 C Ki = 2.0 nM 522.61 COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC Homo sapiens CHEMBL649161 single protein format
CHEMBL78676 OBDepict CH 3 O N Cl N NH O N N CH 3 Ki = 2.01 nM 468.0 COc1ccc(Cl)cc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816952 single protein format
CHEMBL311479 OBDepict CH 3 O N N N H O N N CH 3 Ki = 2.01 nM 419.53 COc1ccccc1N1CCN(CCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816952 single protein format
CHEMBL292881 OBDepict CH 3 O H H N N O N O H S Ki = 2.11 nM 397.5 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4sccc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL302203 OBDepict CH 3 O H H N N O N O H O H 3 C Ki = 2.27 nM 421.5 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(OC)cccc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL291528 OBDepict H 3 C O H H N N O N O H S O CH 3 H 3 C CH 3 Ki = 2.31 nM 469.61 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C(C)C)c(OC)sc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL294098 OBDepict CH 3 O H H N N O N O H N H Ki = 2.58 nM 380.45 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4[nH]ccc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL611 OBDepict CH 3 O O N CH 3 N N H 2 N N O O Ki = 2.68 nM 387.44 COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL648113 single protein format
CHEMBL60471 OBDepict CH 3 O H H N N O N O H Cl Ki = 2.71 nM 425.92 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(Cl)ccc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL709 OBDepict CH 3 O O N CH 3 N N NH 2 H 3 C N H O O Ki = 2.8 nM 389.46 COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC Homo sapiens CHEMBL651997 single protein format
CHEMBL311247 OBDepict O N O N N OH N Ki = 3.0 nM 418.5 O=C1c2ccccc2C(=O)N1CCCCN1CCC(n2c(O)nc3ccccc32)CC1 Homo sapiens CHEMBL648799 cell-based format
CHEMBL432147 OBDepict CH 3 O H H N N O N O H N Ki = 3.1 nM 392.46 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cnccc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL19826 OBDepict CH 3 O O N CH 3 N N H 2 N N H N H O O O H 3 C CH 3 H 3 C IC50 = 3.2 nM 482.54 COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC Homo sapiens CHEMBL648106 tissue-based format
CHEMBL80641 OBDepict CH 3 O N N N H O N O CH 3 N CH 3 Ki = 3.29 nM 461.57 COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816952 single protein format
CHEMBL60722 OBDepict CH 3 O H H N N O N O H N Ki = 3.31 nM 392.46 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ncccc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL58862 OBDepict CH 3 O O CH 3 O N N CH 3 O N H H O CH 3 Ki = 3.31 nM 465.55 COc1cc2c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)n(C)c2cc1OC Homo sapiens CHEMBL649215 single protein format
CHEMBL304215 OBDepict CH 3 O H H N N O N O H + N O _ O Ki = 3.33 nM 436.47 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc([N+](=O)[O-])ccc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL293236 OBDepict CH 3 O O S N H O N O N H H O H 3 C Ki = 3.37 nM 455.54 COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1 Homo sapiens CHEMBL649215 single protein format
CHEMBL19826 OBDepict CH 3 O O N CH 3 N N H 2 N N H N H O O O H 3 C CH 3 H 3 C Ki = 3.5 nM 482.54 COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC Homo sapiens CHEMBL649159 single protein format
CHEMBL13754 OBDepict CH 3 O N N N O N O H S H 3 C Ki = 3.7 nM 476.6 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 Homo sapiens CHEMBL648996 single protein format
CHEMBL61225 OBDepict CH 3 O N O N H O N H H O CH 3 Ki = 3.76 nM 421.5 COc1ccc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2c1 Homo sapiens CHEMBL649215 single protein format
CHEMBL420205 OBDepict F N N NH O N O CH 3 N H 3 C Ki = 3.77 nM 449.53 CC(=O)c1c(-c2ccccc2)nn(C)c(=O)c1NCCN1CCN(c2ccccc2F)CC1 Homo sapiens CHEMBL816952 single protein format
CHEMBL278865 OBDepict CH 3 O N N HN O O O CH 3 Ki = 3.9 nM 511.62 COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 Homo sapiens CHEMBL651994 cell-based format
CHEMBL80458 OBDepict CH 3 O N Cl N N H O N O H 3 C N CH 3 Ki = 3.95 nM 496.01 COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816952 single protein format
CHEMBL60510 OBDepict CH 3 O H H N N O N O H H 3 C H 3 C Ki = 4.07 nM 419.53 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C)c(C)cc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL139505 OBDepict CH 3 O N N N Ki = 4.21 nM 361.49 COc1cccc2c(CCCN3CCN(c4ccccn4)CC3)cccc12 Homo sapiens CHEMBL649152 single protein format
CHEMBL424658 OBDepict CH 3 O O CH 3 NH 2 N N N N O O Ki = 4.43 nM 449.51 COc1cc2nc(N3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL646250 cell-based format
CHEMBL14213 OBDepict CH 3 O N N N O N O CH 3 S Ki = 4.47 nM 476.6 COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1 Homo sapiens CHEMBL648996 single protein format
CHEMBL10347 OBDepict H 3 C O O H H OH H H H N N H Ki = 4.6 nM 354.45 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 Homo sapiens CHEMBL651996 single protein format
CHEMBL268758 OBDepict CH 3 O N N N O N O H S Ki = 4.66 nM 462.58 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 Homo sapiens CHEMBL648996 single protein format
CHEMBL90606 OBDepict F N NH O CH 3 NH H N CH 3 O F F Ki = 4.8 nM 500.57 CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1 Homo sapiens CHEMBL651988 cell-based format
CHEMBL60583 OBDepict CH 3 O CH 3 N N N O O Ki = 4.97 nM 413.56 CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Homo sapiens CHEMBL649207 tissue-based format
CHEMBL3582269 OBDepict H 3 C O O N CH 3 N N NH 2 N O N N N O O HO IC50 < 5.0 nM 544.53 COc1cc2nc(N3CCN(C(=O)c4cn(-c5cc6ccc(O)cc6oc5=O)nn4)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL3583291 cell-based format
CHEMBL3582268 OBDepict CH 3 O O CH 3 NH 2 N N N N O O O HO IC50 < 5.0 nM 477.48 COc1cc2nc(N3CCN(C(=O)c4cc5ccc(O)cc5oc4=O)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL3583291 cell-based format
CHEMBL59262 OBDepict Cl N Cl N N O O Ki = 5.38 nM 452.43 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cc(Cl)ccc2Cl)CC1 Homo sapiens CHEMBL649207 tissue-based format
CHEMBL434228 OBDepict CH 3 O O N CH 3 N N NH 2 N O O Ki = 5.43 nM 435.48 COc1cc2nc(N3CCN(C(=O)CC(=O)c4ccccc4)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL646250 cell-based format
CHEMBL78785 OBDepict H 3 C O N N HN O N N CH 3 Ki = 5.51 nM 433.56 COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 Homo sapiens CHEMBL816952 single protein format
CHEMBL556313 OBDepict O N O N N F F Ki = 5.88 nM 391.46 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2F)CC1 Homo sapiens CHEMBL649207 tissue-based format
CHEMBL291303 OBDepict CH 3 O O CH 3 O N N H O N H H O CH 3 Ki = 6.46 nM 451.52 COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC Homo sapiens CHEMBL649215 single protein format
CHEMBL415887 OBDepict O N H CH 3 CH 3 N N CH 3 Ki = 6.6 nM 455.65 Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 Homo sapiens CHEMBL649157 single protein format
CHEMBL81173 OBDepict O N S O O S O O CH 3 N N O O Ki = 6.8 nM 533.63 CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)C2=O Homo sapiens CHEMBL648798 cell-based format
CHEMBL40650 OBDepict CH 3 O H H N N O N O H S N Ki = 6.95 nM 448.55 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21 Homo sapiens CHEMBL648113 single protein format
CHEMBL294027 OBDepict CH 3 O H H N N O N O H S H 3 C O H 3 C Ki = 7.14 nM 441.55 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(C)c(OC)sc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL15245 OBDepict H 3 C O O H H OH H H H N N H Ki = 7.2 nM 354.45 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 Homo sapiens CHEMBL651997 single protein format
CHEMBL83272 OBDepict F O N O N N S O O O Ki = 7.3 nM 473.53 O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCC(n2c(=O)oc3cc(F)ccc32)CC1 Homo sapiens CHEMBL648799 cell-based format
CHEMBL342731 OBDepict CH 3 O O CH 3 HN N O NH O F F N N Ki = 7.5 nM 527.57 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL651991 tissue-based format
CHEMBL56292 OBDepict O N O N Cl Ki = 7.76 nM 388.94 O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1 Homo sapiens CHEMBL649207 tissue-based format
CHEMBL444590 OBDepict CH 3 O N N N Ki = 7.88 nM 365.52 COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1 Homo sapiens CHEMBL649152 single protein format
CHEMBL90086 OBDepict N F N N H O N H N H H 3 C O F F Ki = 7.9 nM 511.55 CN1C=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)NC1=O Homo sapiens CHEMBL651988 cell-based format
CHEMBL301224 OBDepict Cl N Cl N N O Ki = 7.95 nM 410.39 O=C1CC2(CCCC2)CCN1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 Homo sapiens CHEMBL649207 tissue-based format
CHEMBL80599 OBDepict CH 3 O N Cl N N H O N O CH 3 CH 3 N H 3 C Ki = 8.04 nM 447.97 COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1 Homo sapiens CHEMBL816952 single protein format
CHEMBL299907 OBDepict CH 3 O H H N N O N O H N Ki = 8.2 nM 392.46 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cccnc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format
CHEMBL417939 OBDepict CH 3 O O N CH 3 N O O Ki = 8.21 nM 374.48 COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O Homo sapiens CHEMBL649207 tissue-based format
CHEMBL145443 OBDepict CH 3 O O CH 3 HN N O NH O F F N N Cl Ki = 8.4 nM 562.02 COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1c1ccc(F)c(F)c1 Homo sapiens CHEMBL651991 tissue-based format
CHEMBL343283 OBDepict CH 3 O O N CH 3 N N NH 2 N O O O CH 3 Ki = 8.56 nM 453.5 COc1cc2nc(N3CCN(C(=O)COc4ccccc4OC)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL646250 cell-based format
CHEMBL19476 OBDepict H 3 C O O N H 3 C N N H 2 N N H HN O O O CH 3 CH 3 H 3 C IC50 = 8.8 nM 522.61 COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC Homo sapiens CHEMBL648107 tissue-based format
CHEMBL142251 OBDepict CH 3 O N N N H N O O HN H 3 C O O F CH 3 F Ki = 8.8 nM 571.63 CCOc1ccccc1N1CCN(CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)C2c2ccc(F)c(F)c2)CC1 Homo sapiens CHEMBL651991 tissue-based format
CHEMBL335731 OBDepict CH 3 O O N CH 3 N N NH 2 N O O O O CH 3 CH 3 Ki = 9.05 nM 483.53 COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4OC)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL646250 cell-based format
CHEMBL13856 OBDepict CH 3 O N N N O N O H S CH 3 Ki = 9.09 nM 476.6 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1 Homo sapiens CHEMBL648996 single protein format
CHEMBL62109 OBDepict CH 3 O Cl N H O N O N H H O CH 3 Ki = 9.27 nM 455.94 COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1Cl Homo sapiens CHEMBL649215 single protein format
CHEMBL2432063 OBDepict H 3 C N H Ki = 9.4 nM 271.45 CN(CC1CCCCC1)[C@H]1C2C3CC4C5C3CC2C5C41 Homo sapiens CHEMBL2432461 single protein format
CHEMBL25554 OBDepict H 3 C O O O CH 3 N H O O Ki = 9.9 nM 345.4 COc1cccc(OC)c1OCCNCC1COc2ccccc2O1 Homo sapiens CHEMBL651997 single protein format
CHEMBL56438 OBDepict O N O N N Cl Cl Ki = 9.9 nM 424.37 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Cl)ccc2Cl)CC1 Homo sapiens CHEMBL649207 tissue-based format
CHEMBL309518 OBDepict CH 3 S S O N O O N N O O Ki = 10.0 nM 501.63 CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(n3c(=O)oc4ccccc43)CC1)S2(=O)=O Homo sapiens CHEMBL648799 cell-based format
CHEMBL293539 OBDepict O N O N N Cl F Ki = 10.05 nM 407.92 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(F)ccc2Cl)CC1 Homo sapiens CHEMBL649207 tissue-based format
CHEMBL291588 OBDepict CH 3 O H H N N O N O H N Ki = 10.57 nM 392.46 COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4ccncc4c3=O)C[C@@H]21 Homo sapiens CHEMBL649215 single protein format