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P0DMS9 | TMIG3_HUMAN | Transmembrane domain-containing protein TMIGD3 (TMIGD3)

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
CHEMBL3747303 OBDepict _ N + N N N N HN N CH 3 N H H HO H H OH HN O CH 3 Ki = 0.54 nM 359.35 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(N=[N+]=[N-])nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3746778 OBDepict H 3 C N H O H H OH H N H OH N N N N HN N CH 3 N S Br Ki = 0.58 nM 546.41 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(-n4cc(-c5ccc(Br)s5)nn4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3746260 OBDepict CH 3 N H N N N N N + N _ N H H HO H H HO N H O H 3 C Ki = 0.69 nM 373.38 CCNc1nc(N=[N+]=[N-])nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3612943 OBDepict H 3 C N H O H H OH H N H OH N N N N HN N CH 3 N S Cl Ki = 0.73 nM 501.96 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(-n4cc(-c5ccc(Cl)s5)nn4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3747209 OBDepict _ N + N N N N NH N N H H OH H H HO NH O H 3 C Ki = 0.85 nM 449.48 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(N=[N+]=[N-])nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3747005 OBDepict _ N + N N N N N H N N H H OH H H OH HN O CH 3 Ki = 0.85 nM 399.42 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCC4)nc(N=[N+]=[N-])nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3746512 OBDepict H 3 C N H O H H HO H N H OH N N I N N H Ki = 0.91 nM 534.36 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(I)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3746774 OBDepict CH 3 HN O H H HO H N H HO N N N N NH N H 3 C N Cl Ki = 0.95 nM 495.93 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(-n4cc(-c5ccccc5Cl)nn4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3746358 OBDepict H 3 C N H O H H OH H N H OH N N N N HN N CH 3 N Ki = 0.96 nM 461.49 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(-n4cc(-c5ccccc5)nn4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3747276 OBDepict H 3 C N H O H H OH H N H OH N N N N HN N CH 3 N O Ki = 0.96 nM 451.45 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(-n4cc(-c5ccco5)nn4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3747457 OBDepict H 3 C NH O H H OH H N H OH N N N N HN N CH 3 N F F Ki = 1.06 nM 497.47 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(-n4cc(-c5ccc(F)c(F)c5)nn4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3746487 OBDepict _ N + N N N N HN N N H H HO H H OH Cl HN O CH 3 Ki = 1.08 nM 469.89 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(N=[N+]=[N-])nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3747461 OBDepict CH 3 N H N N I N N H H HO H H HO N H O H 3 C Ki = 1.22 nM 458.26 CCNc1nc(I)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3612944 OBDepict H 3 C NH N N N N N N N H H OH H S H OH NH O Cl CH 3 Ki = 1.22 nM 515.99 CCNc1nc(-n2cc(-c3ccc(Cl)s3)nn2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3745837 OBDepict CH 3 N H N N N N N N N H H H HO O H HO NH O H 3 C Ki = 1.25 nM 501.51 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(-n4cc(-c5cc6ccccc6o5)nn4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3746890 OBDepict CH 3 N H O H H OH H N H HO N N I N N H Ki = 1.53 nM 484.3 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCC4)nc(I)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL4090355 OBDepict CH 3 N H O H O H HO H N H HO N N N NH H 3 C S Cl Ki = 1.55 nM 448.89 CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4011335 cell-based format
CHEMBL3612940 OBDepict CH 3 NH N N N H S H OH H H HO Cl NH O CH 3 Ki = 1.69 nM 471.97 CCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 Homo sapiens CHEMBL4011338 cell-based format
CHEMBL3747756 OBDepict H 3 C N H O H H OH H N H OH N N N N HN N CH 3 N N Ki = 1.84 nM 462.47 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(-n4cc(-c5ccccn5)nn4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3745807 OBDepict H 3 C N H O H H OH H N H OH N N N N HN N CH 3 N N N CH 3 Ki = 2.16 nM 465.48 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(-n4cc(-c5cnn(C)c5)nn4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3747321 OBDepict H 3 C N H O H H OH H N H OH N N N N HN N CH 3 N N N Ki = 2.21 nM 463.46 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(-n4cc(-c5cnccn5)nn4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3747670 OBDepict H 3 C N H O H H OH H N H OH N N N N HN N CH 3 N N N Ki = 3.48 nM 463.46 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(-n4cc(-c5ncccn5)nn4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL4066973 OBDepict H 3 C O O H H HO H N H HO N N N HN CH 3 S Cl Ki = 5.38 nM 459.92 CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)OC)C[C@H]12 Homo sapiens CHEMBL4011335 cell-based format
CHEMBL4105127 OBDepict CH 3 O O H H HO H N H HO N N N NH H 3 C S Cl Ki = 5.78 nM 487.97 CCCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL4011335 cell-based format
CHEMBL3800048 OBDepict CH 3 HN O H H HO H N H HO N N N CH 3 Ki = 6.01 nM 403.44 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(C)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3803229 cell-based format
CHEMBL4086593 OBDepict H 3 C NH N N N N H O S H OH H H OH Cl N H O CH 3 Ki = 6.25 nM 476.95 CCCNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4011335 cell-based format
CHEMBL4097426 OBDepict CH 3 O O H H OH H N H OH N N N NH H 3 C S Br Ki = 6.42 nM 518.39 CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Br)s4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL4011335 cell-based format
CHEMBL3746784 OBDepict CH 3 HN O H HO H H HO H N N N N N NH N N S Cl Ki = 6.66 nM 592.09 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(-n4cc(-c5ccc(Cl)s5)nn4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL3745851 OBDepict CH 3 HN O H H HO H N H HO N N N N NH N N S Cl Ki = 7.05 nM 542.03 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCC4)nc(-n4cc(-c5ccc(Cl)s5)nn4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3749019 cell-based format
CHEMBL4089071 OBDepict CH 3 N H N N N N H S H HO H H HO Cl O O Ki = 7.31 nM 536.01 CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)OCc3ccccc3)C[C@H]12 Homo sapiens CHEMBL4011335 cell-based format
CHEMBL4071830 OBDepict H 3 C O O H H HO H N H HO N N N HN CH 3 S Br Ki = 8.56 nM 504.37 CNc1nc(C#Cc2ccc(Br)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)OC)C[C@H]12 Homo sapiens CHEMBL4011335 cell-based format
CHEMBL4071867 OBDepict CH 3 HN O H H HO H N H HO N N NH H 3 C S Cl Ki = 9.33 nM 457.94 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)cc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL4011335 cell-based format
CHEMBL4092411 OBDepict CH 3 O O H O H HO H N H HO N N N NH H 3 C S Cl Ki = 11.5 nM 449.88 CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@@H]1O[C@H](C(=O)OC)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4011335 cell-based format
CHEMBL4093756 OBDepict CH 3 O O H H OH H N H OH N N N NH H 3 C S Cl Ki = 14.5 nM 473.94 CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL4011335 cell-based format
CHEMBL464859 OBDepict CH 3 N H O H O H OH H N H HO N N N H 2 N Ki = 16.0 nM 308.3 CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3863870 cell-based format
CHEMBL4068757 OBDepict H 3 C O O H H HO H N H HO N N N NH H 3 C S Cl Ki = 17.5 nM 502.0 CCCCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL4011335 cell-based format
CHEMBL111545 OBDepict H 3 C O O N CH 3 S O H 3 C CH 3 Ki = 19.0 nM 399.56 CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCC Homo sapiens CHEMBL3772111 cell-based format
CHEMBL3985712 OBDepict CH 3 HN O H H HO H N H HO N N N N H 3 C CH 3 S Cl Ki = 23.5 nM 472.96 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N(C)C)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3863870 cell-based format
CHEMBL4081194 OBDepict H 3 C NH N N N N H S H OH H H HO Cl O O CH 3 H 3 C Ki = 24.4 nM 516.02 CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)OCCC(C)C)C[C@H]12 Homo sapiens CHEMBL4011335 cell-based format
CHEMBL4068878 OBDepict H 3 C O NH O N N N Ki = 25.0 nM 420.47 COc1ccc(C(=O)Nc2nc(-c3ccccc3)cn3cc(-c4ccccc4)nc23)cc1 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL3741217 OBDepict CH 3 N N N O N H N NH 2 Ki = 29.0 nM 348.41 CCCn1c(-c2ccco2)nc2c(N)nc(NCc3ccccc3)nc21 Homo sapiens CHEMBL3744104 cell-based format
CHEMBL3771367 OBDepict CH 3 O O H 3 C HN O O Ki = 31.4 nM 463.53 CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1C#Cc1ccccc1 Homo sapiens CHEMBL3772110 cell-based format
CHEMBL3976121 OBDepict H 3 C N H O H H HO H N H OH N N Cl N N H Ki = 34.0 nM 432.91 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3863870 cell-based format
CHEMBL4091060 OBDepict F NH O N N N Ki = 38.0 nM 408.44 O=C(Nc1nc(-c2ccccc2)cn2cc(-c3ccccc3)nc12)c1ccc(F)cc1 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL3745868 OBDepict O N H S S N Ki = 40.0 nM 300.41 O=C(Nc1nc(C2CC2)cs1)c1cc2ccccc2s1 Homo sapiens CHEMBL3750699 cell-based format
CHEMBL344187 OBDepict I N H N N N N H O H OH H HO O HN IC50 = 42.0 nM 522.3 O=C1NCC[C@@]12O[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3772111 cell-based format
CHEMBL3798200 OBDepict CH 3 N H O H H HO H N H HO N N N CH 3 S Cl Ki = 42.2 nM 443.92 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(C)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3803229 cell-based format
CHEMBL4072303 OBDepict H 3 C NH N N N N H S H OH H H HO Cl O O CH 3 H 3 C Ki = 42.9 nM 487.97 CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)OC(C)C)C[C@H]12 Homo sapiens CHEMBL4011335 cell-based format
CHEMBL4092103 OBDepict O N H N N N Ki = 52.0 nM 314.35 O=C(Nc1nccn2cc(-c3ccccc3)nc12)c1ccccc1 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL4069012 OBDepict O NH N N N N Ki = 54.0 nM 391.43 O=C(Nc1nc(-c2ccccc2)cn2cc(-c3ccccc3)nc12)c1cccnc1 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL3740141 OBDepict CH 3 N N N O N H N NH 2 Ki = 56.0 nM 362.44 CCCn1c(-c2ccco2)nc2c(N)nc(NCCc3ccccc3)nc21 Homo sapiens CHEMBL3744104 cell-based format
CHEMBL3799738 OBDepict H 3 C NH O H H OH H N H OH N N N S Cl Ki = 60.0 nM 429.89 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3cnc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3803229 cell-based format
CHEMBL4070079 OBDepict O N N O N N Ki = 64.0 nM 418.46 O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nccn2cc(-c3ccccc3)nc12 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL4105423 OBDepict O NH O N N N Ki = 67.0 nM 380.41 O=C(Nc1nc(-c2ccccc2)cn2cc(-c3ccccc3)nc12)c1ccco1 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL4068878 OBDepict H 3 C O NH O N N N IC50 = 73.0 nM 420.47 COc1ccc(C(=O)Nc2nc(-c3ccccc3)cn3cc(-c4ccccc4)nc23)cc1 Homo sapiens CHEMBL4041938 cell-based format
CHEMBL3800106 OBDepict H 3 C NH O H H OH H N H OH N N N OH Ki = 78.5 nM 507.55 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(/C=C(O)c4ccccc4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3803229 cell-based format
CHEMBL4075640 OBDepict O NH N N N Ki = 82.0 nM 390.45 O=C(Nc1nc(-c2ccccc2)cn2cc(-c3ccccc3)nc12)c1ccccc1 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL3800360 OBDepict CH 3 N H O H H HO H N H HO N N N CH 3 F F Ki = 98.5 nM 439.42 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(C)nc(C#Cc4ccc(F)c(F)c4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3803229 cell-based format
CHEMBL3770003 OBDepict CH 3 O O H 3 C HN O O CH 3 Ki = 108.0 nM 417.51 CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCC)C1/C=C/c1ccccc1 Homo sapiens CHEMBL3772110 cell-based format
CHEMBL3746510 OBDepict CH 3 O N S N H O S Ki = 120.0 nM 340.43 COc1cccc2sc(NC(=O)c3cc4ccccc4s3)nc12 Homo sapiens CHEMBL3750699 cell-based format
CHEMBL3747370 OBDepict O NH O S N Ki = 120.0 nM 234.28 O=C(Nc1nc(C2CC2)cs1)c1ccoc1 Homo sapiens CHEMBL3750699 cell-based format
CHEMBL3941980 OBDepict Cl HN N N N N H F F Ki = 120.0 nM 395.8 Fc1ccc(C#Cc2nc(NCc3cccc(Cl)c3)c3nc[nH]c3n2)cc1F Homo sapiens CHEMBL3863870 cell-based format
CHEMBL4082271 OBDepict H 3 C O N N N N H O Ki = 121.0 nM 344.37 COc1ccc(-c2cn3ccnc(NC(=O)c4ccccc4)c3n2)cc1 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL3800509 OBDepict CH 3 HN O H H HO H N H HO N N N F F Ki = 124.0 nM 425.4 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3cnc(C#Cc4ccc(F)c(F)c4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3803229 cell-based format
CHEMBL4064023 OBDepict Cl NH O N N N Ki = 156.0 nM 424.89 O=C(Nc1nc(-c2ccccc2)cn2cc(-c3ccccc3)nc12)c1ccc(Cl)cc1 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL4081828 OBDepict H 2 N NH O H H HO H N H HO N N N HN CH 3 S Cl Ki = 156.0 nM 487.97 CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NCCN)C[C@H]12 Homo sapiens CHEMBL4011335 cell-based format
CHEMBL3932820 OBDepict HO H H HO H N H OH N N Cl N N H H CH 3 Ki = 160.0 nM 393.88 CC[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1 Homo sapiens CHEMBL3863870 cell-based format
CHEMBL4070253 OBDepict CH 3 O HN O N N N Ki = 162.0 nM 344.37 COc1ccc(C(=O)Nc2nccn3cc(-c4ccccc4)nc23)cc1 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL4092103 OBDepict O N H N N N IC50 = 163.0 nM 314.35 O=C(Nc1nccn2cc(-c3ccccc3)nc12)c1ccccc1 Homo sapiens CHEMBL4041938 cell-based format
CHEMBL3914002 OBDepict Cl N H N N Cl N N H Ki = 165.0 nM 294.15 Clc1cccc(CNc2nc(Cl)nc3[nH]cnc23)c1 Homo sapiens CHEMBL3863870 cell-based format
CHEMBL4078926 OBDepict CH 3 O O H H OH H N H OH N N NH H 3 C S Cl Ki = 169.0 nM 472.95 CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)cc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL4011335 cell-based format
CHEMBL4069012 OBDepict O NH N N N N IC50 = 172.0 nM 391.43 O=C(Nc1nc(-c2ccccc2)cn2cc(-c3ccccc3)nc12)c1cccnc1 Homo sapiens CHEMBL4041938 cell-based format
CHEMBL4082842 OBDepict O NH S N N N Ki = 185.0 nM 396.48 O=C(Nc1nc(-c2ccccc2)cn2cc(-c3ccccc3)nc12)c1cccs1 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL4070079 OBDepict O N N O N N IC50 = 187.0 nM 418.46 O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nccn2cc(-c3ccccc3)nc12 Homo sapiens CHEMBL4041938 cell-based format
CHEMBL4089977 OBDepict CH 3 HN O N N N Ki = 223.0 nM 404.47 Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cn3cc(-c4ccccc4)nc23)cc1 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL4075640 OBDepict O NH N N N IC50 = 235.0 nM 390.45 O=C(Nc1nc(-c2ccccc2)cn2cc(-c3ccccc3)nc12)c1ccccc1 Homo sapiens CHEMBL4041938 cell-based format
CHEMBL3955519 OBDepict H 3 C O O H H OH H N H HO N N Cl N N H Ki = 236.0 nM 447.92 CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3863870 cell-based format
CHEMBL4084789 OBDepict O N H N N N Ki = 245.0 nM 404.47 O=C(Nc1nccn2cc(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL4096775 OBDepict CH 3 N H N N N N H S H HO H H HO Cl O O Ki = 255.0 nM 564.07 CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)OCCCc3ccccc3)C[C@H]12 Homo sapiens CHEMBL4011335 cell-based format
CHEMBL4067857 OBDepict CH 3 N H N N N N H S H HO H H HO Cl O O Ki = 262.0 nM 550.04 CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)OCCc3ccccc3)C[C@H]12 Homo sapiens CHEMBL4011335 cell-based format
CHEMBL3740992 OBDepict CH 3 N N N O N H N NH 2 Ki = 266.0 nM 376.46 CCCn1c(-c2ccco2)nc2c(N)nc(NCCCc3ccccc3)nc21 Homo sapiens CHEMBL3744104 cell-based format
CHEMBL3799095 OBDepict CH 3 HN O H H HO H N H HO N N N CH 3 H 3 C H 3 C CH 3 Ki = 305.0 nM 459.55 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(C)nc(C#Cc4ccc(C(C)(C)C)cc4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3803229 cell-based format
CHEMBL4099880 OBDepict H 3 C O N N N HN O Ki = 312.0 nM 420.47 COc1ccc(-c2cn3cc(-c4ccccc4)nc(NC(=O)c4ccccc4)c3n2)cc1 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL3798963 OBDepict CH 3 HN O H H HO H N H HO N N N CH 3 N N Ki = 343.0 nM 405.42 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(C)nc(C#Cc4cnccn4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3803229 cell-based format
CHEMBL3739903 OBDepict H 3 C N N N O N N H Ki = 402.0 nM 333.4 CCCn1c(-c2ccco2)nc2c(NCc3ccccc3)ncnc21 Homo sapiens CHEMBL3744104 cell-based format
CHEMBL2012686 OBDepict Cl N N N H N N H H H HO H H HO Ki = 470.0 nM 375.86 O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc21 Homo sapiens CHEMBL3863870 cell-based format
CHEMBL3956531 OBDepict CH 3 O O H H OH H N H HO N N Cl N N H Ki = 499.0 nM 461.95 CCCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3863870 cell-based format
CHEMBL3797208 OBDepict H 3 C NH O H OH H H OH H N N N N OH Cl Cl Ki = 515.0 nM 576.44 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(/C=C(O)c4ccccc4Cl)nc(C#Cc4ccccc4Cl)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3803229 cell-based format
CHEMBL4075670 OBDepict O N H N N N Ki = 524.0 nM 328.38 O=C(Cc1ccccc1)Nc1nccn2cc(-c3ccccc3)nc12 Homo sapiens CHEMBL4041933 cell-based format
CHEMBL3800202 OBDepict CH 3 HN N N N N H H OH H H HO NH O H 3 C Ki = 604.0 nM 318.34 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3cnc(NC)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3803229 cell-based format
CHEMBL3740631 OBDepict H 3 C N Br N N N H N NH 2 Ki = 650.0 nM 361.25 CCCn1c(Br)nc2c(N)nc(NCc3ccccc3)nc21 Homo sapiens CHEMBL3744104 cell-based format
CHEMBL3799847 OBDepict CH 3 HN O H H HO H N H HO N N N O H 3 C S Cl Ki = 684.0 nM 459.92 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(OC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3803229 cell-based format
CHEMBL4078748 OBDepict CH 3 HN N N N N H S H HO H H OH Cl O OH Ki = 684.0 nM 445.89 CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)O)C[C@H]12 Homo sapiens CHEMBL4011335 cell-based format
CHEMBL3818426 OBDepict Br S O O OH Ki = 746.0 nM 323.17 O=c1oc2c(O)cccc2cc1-c1cc(Br)cs1 Homo sapiens CHEMBL3821865 cell-based format
CHEMBL3970041 OBDepict H 3 C O O H H HO H N H OH N N Cl N N H Ki = 766.0 nM 433.9 COC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL3863870 cell-based format
CHEMBL4105446 OBDepict CH 3 N H N N N N H S H HO H H HO Cl O O Ki = 770.0 nM 556.09 CNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)OCCC3CCCCC3)C[C@H]12 Homo sapiens CHEMBL4011335 cell-based format
CHEMBL3087706 OBDepict CH 3 N N N O N NH 2 Ki = 790.0 nM 243.27 CCCn1c(-c2ccco2)nc2c(N)ncnc21 Homo sapiens CHEMBL3744104 cell-based format
CHEMBL3741337 OBDepict H 3 C N N N O N HN Ki = 811.0 nM 347.42 CCCn1c(-c2ccco2)nc2c(NCCc3ccccc3)ncnc21 Homo sapiens CHEMBL3744104 cell-based format
CHEMBL3742158 OBDepict H 3 C N N N O N N H Ki = 959.0 nM 361.45 CCCn1c(-c2ccco2)nc2c(NCCCc3ccccc3)ncnc21 Homo sapiens CHEMBL3744104 cell-based format