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O75460 | ERN1_HUMAN | Serine/threonine-protein kinase/endoribonuclease IRE1 (ERN1)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "PERK and Ire1 luminal domains" // PQQ_2 ]

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[ Domain: "Nucleotidyltransferase substrate binding subunit/domain" // Ribonuc_2-5A ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4859660 OBDepict NH 2 N F + N O NH O _ O IC50 = -50100.0 nM 378.36 Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804396 cell-based format
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -43100.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804396 cell-based format
CHEMBL4860979 OBDepict F S N O O CH 3 N H 2 N O N H IC50 = -34100.0 nM 466.54 CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 Homo sapiens CHEMBL4804396 cell-based format
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = -17000.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804396 cell-based format
CHEMBL4868141 OBDepict H 2 N N O O HN NH S O O IC50 = -6300.0 nM 532.67 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804396 cell-based format
CHEMBL4798215 OBDepict N S N H O O F N O N N N H 3 C CH 3 N H H HN H F IC50 = 0.1 nM 594.65 CC(C)n1c(=O)c(-c2ccc(NS(=O)(=O)Cc3ccc(C#N)cc3)c(F)c2)nc2cnc(N[C@@H]3CNC[C@@H](F)C3)nc21 Homo sapiens CHEMBL4672954 cell-based format
CHEMBL3665053 OBDepict O HO NH O H 3 C CH 3 IC50 = 3.0 nM 333.39 CC(C)NC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3665060 OBDepict O OH S N O N H 3 C IC50 = 5.0 nM 380.47 CN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4c3)s2)CC1 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3917195 OBDepict O OH O N O N H 3 C IC50 = 5.0 nM 364.4 CN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4c3)o2)CC1 Homo sapiens CHEMBL3887866 single protein format
CHEMBL3356002 OBDepict CH 3 O N H N N N H N N NH H N H IC50 = 5.1 nM 542.65 Cc1cc(Nc2nc3ccccc3[nH]2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1 Homo sapiens CHEMBL3375435 single protein format
CHEMBL3665025 OBDepict CH 3 O OH O NH O IC50 = 6.0 nM 361.4 COc1cc(-c2cccc(C(=O)NCc3ccccc3)c2)cc(C=O)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3356001 OBDepict CH 3 O N H N N N H N N NH H H H 2 N IC50 = 6.4 nM 556.67 Cc1cc(Nc2nc3ccccc3[nH]2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 Homo sapiens CHEMBL3375435 single protein format
CHEMBL3355998 OBDepict H N N H N O N N N HN H N H IC50 = 9.7 nM 528.62 c1cnc(Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)c(-c2ccnc(N[C@H]3CCCNC3)n2)c1 Homo sapiens CHEMBL3375435 single protein format
CHEMBL3355999 OBDepict H N N H N O N N N NH H H H 2 N IC50 = 11.0 nM 542.65 N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)CC1 Homo sapiens CHEMBL3375435 single protein format
CHEMBL3355993 OBDepict CH 3 N H 3 C N H N N N O H 3 C N H N N H IC50 = 14.0 nM 530.64 Cc1cc(Nc2nc3ccccc3[nH]2)c2ccccc2c1Oc1ncccc1-c1ccnc(NCCN(C)C)n1 Homo sapiens CHEMBL3375435 single protein format
CHEMBL3356003 OBDepict CH 3 O N H N N O N N HN H H NH 2 IC50 = 14.0 nM 557.66 Cc1cc(Nc2nc3ccccc3o2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 Homo sapiens CHEMBL3375435 single protein format
CHEMBL3665083 OBDepict OH N OH O S CH 3 IC50 = 15.0 nM 277.35 COc1cc(-c2cccs2)cc(/C=NCCO)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3665022 OBDepict CH 3 O OH O NH O IC50 = 19.0 nM 353.42 COc1cc(-c2cccc(C(=O)NC3CCCCC3)c2)cc(C=O)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3660455 OBDepict CH 3 O O + N O HO O _ O IC50 = 21.0 nM 301.25 COC(=O)c1ccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)cc1 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3665027 OBDepict O OH N IC50 = 23.0 nM 249.27 O=Cc1c(O)ccc2cc(-c3cccnc3)ccc12 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3665082 OBDepict CH 3 O OH S N O CH 3 IC50 = 23.0 nM 353.44 COc1ccc(C/N=C/c2cc(-c3cccs3)cc(OC)c2O)cc1 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3665043 OBDepict O HO O NH 2 IC50 = 26.0 nM 291.31 NC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)c1 Homo sapiens CHEMBL3705844 single protein format
CHEMBL4565193 OBDepict O N H N H O H NH N N Cl N N N H IC50 = 27.0 nM 509.01 O=C(CN1CCOCC1)N[C@H]1CC[C@H](Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1 Homo sapiens CHEMBL4401829 single protein format
CHEMBL3355996 OBDepict CH 3 N HN N N N O N H N N H IC50 = 29.0 nM 542.65 CN1CCCC(Nc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)C1 Homo sapiens CHEMBL3375435 single protein format
CHEMBL3660308 OBDepict CH 3 O OH Br Br O IC50 = 30.0 nM 309.94 COc1cc(Br)c(Br)c(C=O)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3660309 OBDepict O OH + N S O _ O IC50 = 30.0 nM 249.25 O=Cc1cc(-c2cccs2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL4757144 OBDepict CH 3 N H O N NH 2 N Cl F N H S O O F F IC50 = 31.0 nM 521.91 Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1 Homo sapiens CHEMBL4673065 cell-based format
CHEMBL3660456 OBDepict O OH + N O _ O O NH 2 IC50 = 32.0 nM 286.24 NC(=O)c1cccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)c1 Homo sapiens CHEMBL3705844 single protein format
CHEMBL4758021 OBDepict F S F HN O O F N H Cl O N N NH 2 N IC50 = 33.0 nM 584.97 Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc(-c3ccncc3)cc12 Homo sapiens CHEMBL4673065 cell-based format
CHEMBL4576457 OBDepict CH 3 HN O H H N H N N Cl N N N H IC50 = 33.0 nM 423.91 CC(=O)N[C@H]1CC[C@H](Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1 Homo sapiens CHEMBL4401829 single protein format
CHEMBL3665081 OBDepict CH 3 O HO S N IC50 = 34.0 nM 273.36 COc1cc(-c2cccs2)cc(/C=N/C2CC2)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3665031 OBDepict O HO N O H 3 C CH 3 IC50 = 36.0 nM 319.36 CN(C)C(=O)c1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cc1 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3660401 OBDepict H 3 C O OH O N N IC50 = 39.0 nM 230.22 COc1cc(-c2cncnc2)cc(C=O)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3660310 OBDepict O OH F S IC50 = 40.0 nM 222.24 O=Cc1cc(-c2cccs2)cc(F)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL4752754 OBDepict CH 3 N N H 3 C N H O N NH 2 N Cl F HN S O O F IC50 = 40.0 nM 584.01 Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3F)c2F)c2ncnc(N)c2c1 Homo sapiens CHEMBL4673065 cell-based format
CHEMBL3665021 OBDepict CH 3 O NH O F OH O IC50 = 40.0 nM 379.39 COc1ccc(CNC(=O)c2cccc(-c3cc(F)c(O)c(C=O)c3)c2)cc1 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3356000 OBDepict H N N H N O N N N HN H H NH 2 IC50 = 43.0 nM 542.65 N[C@H]1CC[C@@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)CC1 Homo sapiens CHEMBL3375435 single protein format
CHEMBL3356004 OBDepict CH 3 O HN S N O O N N NH H H H 2 N IC50 = 45.0 nM 580.71 Cc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 Homo sapiens CHEMBL3375435 single protein format
CHEMBL3665063 OBDepict O HO N IC50 = 45.0 nM 173.17 O=Cc1c(O)cnc2ccccc12 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3660393 OBDepict O HO F S O CH 3 IC50 = 46.0 nM 264.28 CC(=O)c1ccc(-c2cc(F)c(O)c(C=O)c2)s1 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3660434 OBDepict O HO F O H 2 N IC50 = 46.0 nM 259.24 NC(=O)c1cccc(-c2cc(F)c(O)c(C=O)c2)c1 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3665054 OBDepict O HO N NH O H 3 C CH 3 IC50 = 47.0 nM 334.38 CC(C)NC(=O)c1cccc(-c2ccc3c(C=O)c(O)ccc3c2)n1 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3265274 OBDepict O OH O O N HN NH 2 IC50 = 47.0 nM 287.27 N=C(N)N1CCc2c(c(=O)oc3c(C=O)c(O)ccc23)C1 Homo sapiens CHEMBL3265635 cell-based format
CHEMBL3665097 OBDepict O Br HO O H 2 N IC50 = 47.0 nM 244.04 NC(=O)c1ccc(Br)c(C=O)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL4755886 OBDepict F S F HN O O F N H Cl O N N NH 2 N IC50 = 47.0 nM 584.97 Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc(-c3cccnc3)cc12 Homo sapiens CHEMBL4673065 cell-based format
CHEMBL3665057 OBDepict O HO N HN O N O IC50 = 48.0 nM 405.45 O=Cc1c(O)ccc2cc(-c3cccc(C(=O)NCCN4CCOCC4)n3)ccc12 Homo sapiens CHEMBL3705844 single protein format
CHEMBL4747176 OBDepict F S F HN O O F N H Cl O N N NH 2 N N H 3 C IC50 = 50.0 nM 587.97 Cn1cc(-c2cc(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c3ncnc(N)c3c2)cn1 Homo sapiens CHEMBL4673065 cell-based format
CHEMBL3355997 OBDepict H N N H N O N N N HN H N H IC50 = 51.0 nM 528.62 c1cnc(Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)c(-c2ccnc(N[C@@H]3CCCNC3)n2)c1 Homo sapiens CHEMBL3375435 single protein format
CHEMBL4759829 OBDepict F S F HN O O F N H Cl O N N N NH 2 H 3 C N IC50 = 53.0 nM 587.97 Cn1nccc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1 Homo sapiens CHEMBL4673065 cell-based format
CHEMBL4753548 OBDepict F S F HN O O F N H Cl O N N NH 2 IC50 = 56.0 nM 507.88 Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cccc12 Homo sapiens CHEMBL4673065 cell-based format
CHEMBL3660419 OBDepict CH 3 O OH O O IC50 = 61.0 nM 218.21 COc1cc(-c2ccco2)cc(C=O)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3665020 OBDepict O OH NH O N IC50 = 66.0 nM 352.43 O=Cc1cc(-c2cccc(C(=O)NCCN3CCCCC3)c2)ccc1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3665028 OBDepict O OH N N IC50 = 66.0 nM 250.26 O=Cc1c(O)ccc2cc(-c3cncnc3)ccc12 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3665056 OBDepict O OH N O O IC50 = 67.0 nM 361.4 O=Cc1c(O)ccc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc12 Homo sapiens CHEMBL3705844 single protein format
CHEMBL4749470 OBDepict F S F N H O O F N H Cl O S N N NH 2 IC50 = 67.0 nM 513.91 Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)csc12 Homo sapiens CHEMBL4673065 cell-based format
CHEMBL3660311 OBDepict O OH F N N IC50 = 70.0 nM 218.19 O=Cc1cc(-c2cncnc2)cc(F)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3355992 OBDepict CH 3 N CH 3 HN N N N O N H N N H IC50 = 71.0 nM 516.61 CN(C)CCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1 Homo sapiens CHEMBL3375435 single protein format
CHEMBL4444939 OBDepict Cl N N N H N H H NH 2 N N H IC50 = 72.0 nM 381.87 N[C@H]1CC[C@H](Nc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1 Homo sapiens CHEMBL4401829 single protein format
CHEMBL3660414 OBDepict O OH F S IC50 = 74.0 nM 222.24 O=Cc1cc(-c2ccsc2)cc(F)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3660387 OBDepict CH 3 O N O H 3 C HO O IC50 = 74.0 nM 259.26 COc1ccc(-c2cc(C=O)c(O)c(OC)c2)cn1 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3665029 OBDepict O HO N O O IC50 = 74.0 nM 361.4 O=Cc1c(O)ccc2cc(-c3cccc(C(=O)N4CCOCC4)c3)ccc12 Homo sapiens CHEMBL3705844 single protein format
CHEMBL4787548 OBDepict F S F N H O O F N H Cl O N N NH 2 N N H IC50 = 76.0 nM 573.94 Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc(-c3cn[nH]c3)cc12 Homo sapiens CHEMBL4673065 cell-based format
CHEMBL3665030 OBDepict O HO O OH IC50 = 79.0 nM 292.29 O=Cc1c(O)ccc2cc(-c3cccc(C(=O)O)c3)ccc12 Homo sapiens CHEMBL3705844 single protein format
CHEMBL93215 OBDepict CH 3 O OH Br O IC50 = 80.0 nM 231.04 COc1ccc(Br)c(C=O)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL4588737 OBDepict CH 3 N N H N N Cl N F N N N H H IC50 = 80.0 nM 505.0 CN1CCC(CNc2cc(Cl)nn3c(-c4cc5nc(Nc6ccccc6)[nH]c5cc4F)cnc23)CC1 Homo sapiens CHEMBL4401829 single protein format
CHEMBL3660421 OBDepict O OH + N O _ O O IC50 = 81.0 nM 233.18 O=Cc1cc(-c2ccoc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3660389 OBDepict H 3 C O HO O O IC50 = 82.0 nM 268.27 COc1cc(-c2cc3ccccc3o2)cc(C=O)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3660428 OBDepict H 3 C O OH O O H 2 N IC50 = 82.0 nM 271.27 COc1cc(-c2ccc(C(N)=O)cc2)cc(C=O)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3665017 OBDepict O OH NH O N O IC50 = 84.0 nM 354.41 O=Cc1cc(-c2cccc(C(=O)NCCN3CCOCC3)c2)ccc1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3660466 OBDepict O HO F O NH 2 IC50 = 85.0 nM 259.24 NC(=O)c1ccc(-c2cc(F)c(O)c(C=O)c2)cc1 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3660423 OBDepict O OH F O IC50 = 88.0 nM 206.17 O=Cc1cc(-c2ccoc2)cc(F)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL4743690 OBDepict F S F HN O O F N H Cl O N N N NH 2 N CH 3 IC50 = 89.0 nM 587.97 Cn1ccc(-c2cc(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c3ncnc(N)c3c2)n1 Homo sapiens CHEMBL4673065 cell-based format
CHEMBL4453631 OBDepict CH 3 N N H N N Cl N N N H HN IC50 = 90.0 nM 487.01 CN1CCC(CNc2cc(Cl)nn3c(-c4ccc5[nH]c(Nc6ccccc6)nc5c4)cnc23)CC1 Homo sapiens CHEMBL4401829 single protein format
CHEMBL3665024 OBDepict CH 3 N H O + N O HO O _ O IC50 = 94.0 nM 328.32 CCCNC(=O)c1cccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)c1 Homo sapiens CHEMBL3705844 single protein format
CHEMBL3660381 OBDepict CH 3 O HO S O O CH 3 IC50 = 97.0 nM 276.31 COc1cc(-c2ccc(C(C)=O)s2)cc(C=O)c1O Homo sapiens CHEMBL3705844 single protein format
CHEMBL3668036 OBDepict O OH O O CH 3 N O IC50 < 100.0 nM 377.4 Cc1c(-c2cccc(C(=O)N3CCCC3)c2)c(=O)oc2c(C=O)c(O)ccc12 Homo sapiens CHEMBL3705669 single protein format
CHEMBL4516160 OBDepict CH 3 N N H N N Cl N F N N H HN IC50 = 100.0 nM 505.0 CN1CCC(CNc2cc(Cl)nn3c(-c4cc(F)c5[nH]c(Nc6ccccc6)nc5c4)cnc23)CC1 Homo sapiens CHEMBL4401829 single protein format
CHEMBL3668039 OBDepict O HO O F O CH 3 N N CH 3 IC50 < 100.0 nM 396.42 Cc1c(-c2ccc(N3CCN(C)CC3)cc2)c(=O)oc2c(C=O)c(O)c(F)cc12 Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668040 OBDepict CH 3 O OH CH 3 O O O N N H 3 C IC50 < 100.0 nM 408.45 COc1cc2c(C)c(-c3ccc(N4CCN(C)CC4)cc3)c(=O)oc2c(C=O)c1O Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668042 OBDepict O HO O O N S CH 3 N O O IC50 < 100.0 nM 400.41 Cc1nc(-c2cc3ccc(O)c(C=O)c3oc2=O)sc1C(=O)N1CCOCC1 Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668026 OBDepict O OH O O H 3 C N O N CH 3 IC50 < 100.0 nM 406.44 Cc1c(-c2cccc(C(=O)N3CCN(C)CC3)c2)c(=O)oc2c(C=O)c(O)ccc12 Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668050 OBDepict O HO N N S CH 3 N H O NH IC50 < 100.0 nM 400.5 Cc1nc(N2CCc3c(ccc(O)c3C=O)C2)sc1C(=O)NC1CCNCC1 Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668037 OBDepict O HO O Cl O CH 3 IC50 < 100.0 nM 238.63 Cc1cc(=O)oc2c(C=O)c(O)c(Cl)cc12 Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668023 OBDepict O OH O O CH 3 O CH 3 Br IC50 < 100.0 nM 313.1 COc1cc2c(C)c(Br)c(=O)oc2c(C=O)c1O Homo sapiens CHEMBL3705669 single protein format
CHEMBL3673090 OBDepict O OH O O H 3 C N H O N O IC50 < 100.0 nM 388.42 Cc1c(CCC(=O)NCCN2CCOCC2)c(=O)oc2c(C=O)c(O)ccc12 Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668071 OBDepict O HO S N S N O N CH 3 IC50 < 100.0 nM 387.49 CN1CCN(C(=O)c2ccc(-c3nc4ccc(O)c(C=O)c4s3)s2)CC1 Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668121 OBDepict H 3 C O O HO CH 3 O O O N O O IC50 < 100.0 nM 419.43 COCCOc1cc(O)c(C=O)c2oc(=O)c(CCC(=O)N3CCOCC3)c(C)c12 Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668116 OBDepict OH N H O O O CH 3 O O OH CH 3 IC50 < 100.0 nM 335.31 COc1cc2c(C)c(CC(=O)NCCO)c(=O)oc2c(C=O)c1O Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668115 OBDepict HO HN O O O CH 3 O O OH CH 3 IC50 < 100.0 nM 349.34 COc1cc2c(C)c(CCC(=O)NCCO)c(=O)oc2c(C=O)c1O Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668114 OBDepict O OH O O CH 3 O H 3 C CH 3 IC50 < 100.0 nM 262.26 COc1cc2c(C(C)C)cc(=O)oc2c(C=O)c1O Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668112 OBDepict CH 3 O OH CH 3 O O S O N O O IC50 < 100.0 nM 429.45 COc1cc2c(C)c(-c3ccc(C(=O)N4CCOCC4)s3)c(=O)oc2c(C=O)c1O Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668070 OBDepict O HO S N N N CH 3 CH 3 IC50 < 100.0 nM 305.4 CC(C)N1CCN(c2nc3ccc(O)c(C=O)c3s2)CC1 Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668111 OBDepict CH 3 O HO CH 3 O O S O N O N CH 3 IC50 < 100.0 nM 442.49 COc1cc2c(C)c(-c3ccc(C(=O)N4CCN(C)CC4)s3)c(=O)oc2c(C=O)c1O Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668109 OBDepict CH 3 O O O O N O H 3 C HO O O IC50 < 100.0 nM 405.4 COCc1c(CCC(=O)N2CCOCC2)c(=O)oc2c(C=O)c(O)c(OC)cc12 Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668107 OBDepict H 3 C O H 3 C O O OH O IC50 < 100.0 nM 248.23 COCc1c(C)c(=O)oc2c(C=O)c(O)ccc12 Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668105 OBDepict CH 3 O OH O O N H 3 C O H 3 C CH 3 IC50 < 100.0 nM 291.3 COc1cc2c(CN(C)C)c(C)c(=O)oc2c(C=O)c1O Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668104 OBDepict H 3 C O OH O O N H 3 C O O IC50 < 100.0 nM 333.34 COc1cc2c(CN3CCOCC3)c(C)c(=O)oc2c(C=O)c1O Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668103 OBDepict H 3 C O O O O CH 3 O O HO H 3 C IC50 < 100.0 nM 320.3 CCOC(=O)Cc1c(C)c2cc(OC)c(O)c(C=O)c2oc1=O Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668102 OBDepict O OH O O H 3 C N O N H 3 C IC50 < 100.0 nM 344.37 Cc1c(CC(=O)N2CCN(C)CC2)c(=O)oc2c(C=O)c(O)ccc12 Homo sapiens CHEMBL3705669 single protein format
CHEMBL3668101 OBDepict O OH O O H 3 C N O O IC50 < 100.0 nM 331.32 Cc1c(CC(=O)N2CCOCC2)c(=O)oc2c(C=O)c(O)ccc12 Homo sapiens CHEMBL3705669 single protein format