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P04626 | ERBB2_HUMAN | Receptor tyrosine-protein kinase erbB-2 (ERBB2)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "Leucine-rich repeats" // GF_recep_IV,Recep_L_domain ]

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[ Domain: "Leucine-rich repeats" // Recep_L_domain ]

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[ Domain: "Epidermal growth factor receptor transmembrane-juxtamembrane segment" // TM_ErbB1 ]

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[ Domain: "Epidermal growth factor receptor transmembrane-juxtamembrane segment" // KOG1025 ]

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[ Domain: "Growth factor receptor domain" // Furin-like ]

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[ Domain: "Growth factor receptor domain" // GF_recep_IV ]

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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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3344216 OBDepict CH 3 N H 3 C H O S O O CH 3 N N N H Cl O F IC50 = 0.5 nM 595.1 CN(C)[C@H](CS(C)(=O)=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 Homo sapiens CHEMBL3385739 single protein format
CHEMBL437890 OBDepict CH 3 N N N H O N N N HN Br F IC50 = 0.5 nM 512.39 CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Br)c4)ncnc3cn2)CC1 Homo sapiens CHEMBL862513 assay format
CHEMBL204638 OBDepict O NH N N N N N H O Br F IC50 = 0.7 nM 499.34 O=C(C#CCCN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Br)c3)ncnc2cn1 Homo sapiens CHEMBL862513 assay format
CHEMBL203599 OBDepict CH 3 N N N H O N N N HN Cl F IC50 = 0.7 nM 467.94 CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cn2)CC1 Homo sapiens CHEMBL862513 assay format
CHEMBL203661 OBDepict O NH N N N N N H O Cl F IC50 = 0.8 nM 454.89 O=C(C#CCCN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL862513 assay format
CHEMBL2048911 OBDepict O N H H N H N N NH N Cl O N S ClH IC50 = 0.92 nM 570.51 Cl.O=C(NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c21)[C@@H]1CCCN1 Homo sapiens CHEMBL2050648 single protein format
CHEMBL2048912 OBDepict O HN NH 2 H 3 C H 3 C N N N H N Cl O N S IC50 = 0.98 nM 522.03 CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c21 Homo sapiens CHEMBL2050648 single protein format
CHEMBL258282 OBDepict CH 3 N N O N N H N NH N Cl O N IC50 = 1.0 nM 494.99 CN1CCN(CCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Homo sapiens CHEMBL947895 single protein format
CHEMBL4105329 OBDepict OH HN H N HO Cl N H 3 C N H IC50 = 1.0 nM 470.96 Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cc(Cl)ccc3O)cc12 Homo sapiens CHEMBL4018643 single protein format
CHEMBL4067871 OBDepict OH N H H N OH Cl N IC50 = 1.0 nM 467.96 OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(-c2ccc3cnccc3c2)c1)c1ccccc1 Homo sapiens CHEMBL4018643 single protein format
CHEMBL4075917 OBDepict HO NH H N OH N H 3 C N F H IC50 = 1.0 nM 454.51 Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3ccc(F)cc3O)cc12 Homo sapiens CHEMBL4018643 single protein format
CHEMBL3344210 OBDepict CH 3 N H O S O O CH 3 N N N H Cl O F IC50 = 1.0 nM 581.07 CNC(CS(C)(=O)=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 Homo sapiens CHEMBL3385739 single protein format
CHEMBL271705 OBDepict Cl O HN N N N O N N H N O IC50 < 1.0 nM 481.94 Clc1cc(Nc2ncnc3[nH]nc(OCCN4CCOCC4)c23)ccc1OCc1ccccn1 Homo sapiens CHEMBL947895 single protein format
CHEMBL483332 OBDepict CH 3 N H 3 C O H 3 C H N N H N Cl O N N IC50 = 1.0 nM 464.96 C[C@H](CN(C)C)Oc1cccc2ncnc(Nc3ccc(OCc4cnccn4)c(Cl)c3)c12 Homo sapiens CHEMBL953992 single protein format
CHEMBL490062 OBDepict CH 3 S O O N H O N N HN N N IC50 = 1.0 nM 552.66 CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc5c(cnn5Cc5ccccc5)c4)c3c2)o1 Homo sapiens CHEMBL953992 single protein format
CHEMBL54091 OBDepict CH 2 HN O N N N N H Br F IC50 = 1.1 nM 388.2 C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Br)c3)ncnc2cn1 Homo sapiens CHEMBL673949 cell-based format
CHEMBL203644 OBDepict CH 3 HN O N N N N H Cl F IC50 = 1.1 nM 355.76 CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL862513 assay format
CHEMBL2048789 OBDepict OH N N NH N Cl O O HN IC50 = 1.3 nM 435.87 O=C1NCc2ccc(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)cc21 Homo sapiens CHEMBL2050648 single protein format
CHEMBL3357637 OBDepict CH 3 O NH N O N N H F N CH 3 H 3 C Cl O N IC50 = 1.38 nM 551.02 CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C(F)=C/CN(C)C Homo sapiens CHEMBL3385196 single protein format
CHEMBL2048795 OBDepict HO N N N H N Cl O N H O IC50 = 1.5 nM 435.87 O=C1Cc2cccc(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)c2N1 Homo sapiens CHEMBL2050648 single protein format
CHEMBL2048796 OBDepict HO N N N H N Cl O NH O IC50 = 1.6 nM 435.87 O=C1Cc2c(cccc2Oc2ccc(Nc3ncnc4ccn(CCO)c34)cc2Cl)N1 Homo sapiens CHEMBL2050648 single protein format
CHEMBL2048906 OBDepict CH 3 N H O N N NH N Cl O N S IC50 = 1.6 nM 478.97 CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c21 Homo sapiens CHEMBL2050648 single protein format
CHEMBL2048903 OBDepict OH N N N H N Cl O N N H IC50 = 1.7 nM 420.86 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ncc45)c(Cl)c3)c21 Homo sapiens CHEMBL2050648 single protein format
CHEMBL202360 OBDepict HC NH O N N N H Br IC50 = 1.9 nM 367.21 C#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Homo sapiens CHEMBL862513 assay format
CHEMBL4786257 OBDepict HO O N H O CH 2 N H N N H N Cl O N IC50 = 1.9 nM 557.01 C=CC(=O)Nc1cc(-c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)ccc1OCCO Homo sapiens CHEMBL4670947 cell-based format
CHEMBL403569 OBDepict HO N O H O N NH N Cl O N IC50 = 2.0 nM 519.99 O=C(CO)N1CCC[C@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Homo sapiens CHEMBL924155 single protein format
CHEMBL2048909 OBDepict O N H S CH 3 CH 3 O O CH 3 N N HN N Cl O N S IC50 = 2.0 nM 585.11 CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c21)S(C)(=O)=O Homo sapiens CHEMBL2050648 single protein format
CHEMBL402553 OBDepict Cl O NH N N N O N N H N IC50 = 2.0 nM 465.95 Clc1cc(Nc2ncnc3[nH]nc(OCCN4CCCC4)c23)ccc1OCc1ccccn1 Homo sapiens CHEMBL947895 single protein format
CHEMBL1630117 OBDepict OH HN O O N N NH Cl O F IC50 = 2.0 nM 504.91 O=C(NO)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 Homo sapiens CHEMBL1640695 single protein format
CHEMBL1173655 OBDepict H 3 C N CH 3 HN O O N HN N H O Cl F IC50 = 2.0 nM 485.95 CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 Homo sapiens CHEMBL1009319 single protein format
CHEMBL518750 OBDepict NH 2 O O H 3 C H 3 C N HN N Cl O N IC50 = 2.0 nM 463.93 CC(C)(Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(N)=O Homo sapiens CHEMBL953992 single protein format
CHEMBL497459 OBDepict F N N N H N N N NH 2 N H 3 C CH 3 IC50 = 2.0 nM 404.45 CN(C)/N=C/c1c(N)ncnc1Nc1ccc2c(cnn2Cc2cccc(F)c2)c1 Homo sapiens CHEMBL1007321 single protein format
CHEMBL436511 OBDepict CH 3 N O N N H N Cl O N N IC50 < 2.0 nM 476.97 CN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5cnccn5)c(Cl)c4)c23)CC1 Homo sapiens CHEMBL881955 single protein format
CHEMBL250130 OBDepict HO N O CH 3 H 3 C H O N NH N Cl O N IC50 < 2.0 nM 507.98 C[C@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO Homo sapiens CHEMBL924155 single protein format
CHEMBL250132 OBDepict OH N O H 3 C O H 3 C H N N H N Cl O N IC50 < 2.0 nM 507.98 C[C@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Homo sapiens CHEMBL924155 single protein format
CHEMBL249927 OBDepict HO N O H O N NH N Cl O N IC50 < 2.0 nM 519.99 O=C(CO)N1CCC[C@@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Homo sapiens CHEMBL924155 single protein format
CHEMBL3968417 OBDepict CH 3 N H 3 C NH O N N N N H Cl F IC50 = 2.0 nM 400.85 CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL3854864 cell-based format
CHEMBL195204 OBDepict H 3 C N O N HN N Cl O N S IC50 < 2.0 nM 482.01 CN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5cscn5)c(Cl)c4)c23)CC1 Homo sapiens CHEMBL881955 single protein format
CHEMBL2103842 OBDepict Cl O NH N N S N N H O N H CH 3 IC50 = 2.0 nM 466.95 C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 Homo sapiens CHEMBL3870718 single protein format
CHEMBL193544 OBDepict CH 3 N O N N H N Cl O N IC50 < 2.0 nM 475.98 CN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Homo sapiens CHEMBL881955 single protein format
CHEMBL197640 OBDepict CH 3 N O N N H N Cl O F IC50 < 2.0 nM 492.98 CN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)CC1 Homo sapiens CHEMBL881955 single protein format
CHEMBL205059 OBDepict O NH N N N N N H Cl F IC50 = 2.1 nM 452.92 O=C(C#CCCN1CCCCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL862513 assay format
CHEMBL1923009 OBDepict OH O N N HN N Cl O Cl IC50 = 2.1 nM 459.33 OCCOCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c21 Homo sapiens CHEMBL1924800 cell-based format
CHEMBL2048905 OBDepict OH N N NH N Cl O N S IC50 = 2.1 nM 437.91 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c21 Homo sapiens CHEMBL2050648 single protein format
CHEMBL2048904 OBDepict HO N N HN N Cl O N N CH 3 IC50 = 2.1 nM 434.89 Cn1ncc2c(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)cccc21 Homo sapiens CHEMBL2050648 single protein format
CHEMBL202411 OBDepict OH HN O N N N H Cl F IC50 = 2.1 nM 370.77 O=C(C#CCO)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL862513 assay format
CHEMBL204085 OBDepict O HN N N N HN O Cl F IC50 = 2.3 nM 453.91 O=C(C#CCCN1CCOCC1)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL862513 assay format
CHEMBL2048788 OBDepict HO N N NH N Cl O N H O H 3 C H 3 C CH 3 IC50 = 2.3 nM 479.97 CC(C)(C)NC(=O)c1cccc(Oc2ccc(Nc3ncnc4ccn(CCO)c34)cc2Cl)c1 Homo sapiens CHEMBL2050648 single protein format
CHEMBL378144 OBDepict CH NH O N N N N H Br IC50 = 2.4 nM 368.19 C#CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Homo sapiens CHEMBL862513 assay format
CHEMBL2048797 OBDepict OH N N N H N Cl O N H IC50 = 2.5 nM 419.87 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ccc45)c(Cl)c3)c21 Homo sapiens CHEMBL2050648 single protein format
CHEMBL2048794 OBDepict HO N N N H N Cl O O N H IC50 = 2.5 nM 435.87 O=C1NCc2cccc(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)c21 Homo sapiens CHEMBL2050648 single protein format
CHEMBL382073 OBDepict H 3 C N CH 3 NH O N N N H Cl F IC50 = 2.6 nM 439.92 CCN(CC)CCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL862513 assay format
CHEMBL257411 OBDepict O N O CH 3 H O N NH N N N N S Ki = 2.7 nM 515.6 C[C@@H](Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4nccs4)c3)c12)C(=O)N1CCOCC1 Homo sapiens CHEMBL928912 single protein format
CHEMBL380669 OBDepict CH 3 N CH 3 CH 3 H 3 C HN O N N N H Cl F IC50 = 2.8 nM 453.95 CC(C)N(CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)C(C)C Homo sapiens CHEMBL862513 assay format
CHEMBL3344215 OBDepict F O Cl N H N N O H 2 N H S O O CH 3 IC50 = 2.9 nM 567.04 CS(=O)(=O)C[C@@H](N)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 Homo sapiens CHEMBL3385739 single protein format
CHEMBL2148050 OBDepict O N H S O O CH 3 N N HN N Cl O Cl IC50 = 2.9 nM 534.43 CS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c21 Homo sapiens CHEMBL2150608 assay format
CHEMBL53555 OBDepict CH 2 HN O N N N N H Cl F IC50 = 3.0 nM 343.75 C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL673949 cell-based format
CHEMBL2408045 OBDepict H 3 C NH O N O O CH 3 N NH N F Cl IC50 = 3.0 nM 473.94 CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1 Homo sapiens CHEMBL2412604 cell-based format
CHEMBL258940 OBDepict CH 3 N N H N N N N NH Cl F IC50 = 3.0 nM 387.85 CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1 Homo sapiens CHEMBL937171 single protein format
CHEMBL402339 OBDepict H 3 C O O HN N N O N N F H N HO IC50 = 3.0 nM 508.55 COc1cc(Nc2ncnc3[nH]nc(OCCN4CCC(O)CC4)c23)ccc1OCc1cccc(F)c1 Homo sapiens CHEMBL947895 single protein format
CHEMBL257430 OBDepict Cl O HN N N N O N N H N HN IC50 = 3.0 nM 480.96 Clc1cc(Nc2ncnc3[nH]nc(OCCN4CCNCC4)c23)ccc1OCc1ccccn1 Homo sapiens CHEMBL947895 single protein format
CHEMBL255135 OBDepict CH 3 N H O N N H N NH N Cl O N IC50 = 3.0 nM 425.88 CNCCOc1n[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Homo sapiens CHEMBL947895 single protein format
CHEMBL2048908 OBDepict HO CH 3 H 3 C HN O N N N H N Cl O N S IC50 = 3.3 nM 537.05 CC(C)(CO)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c21 Homo sapiens CHEMBL2050648 single protein format
CHEMBL1923003 OBDepict Cl O Cl N H N N N CH 3 IC50 = 3.3 nM 385.25 Cn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c21 Homo sapiens CHEMBL1924800 cell-based format
CHEMBL3344209 OBDepict F O Cl N H N N O H 2 N S O O CH 3 IC50 = 3.4 nM 567.04 CS(=O)(=O)CC(N)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 Homo sapiens CHEMBL3385739 single protein format
CHEMBL1630108 OBDepict OH N H O S N N NH Cl O F IC50 = 3.5 nM 547.01 O=C(/C=C/c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)s1)NO Homo sapiens CHEMBL1640695 single protein format
CHEMBL1630118 OBDepict OH HN O S N N NH Cl O F IC50 = 3.5 nM 520.97 O=C(NO)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)s1 Homo sapiens CHEMBL1640695 single protein format
CHEMBL4755170 OBDepict CH 2 HN O N H N NH N N N H IC50 = 3.5 nM 485.55 C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc5[nH]c(Cc6ccccc6)nc5c4)c23)c1 Homo sapiens CHEMBL4670947 cell-based format
CHEMBL3344208 OBDepict CH 3 N CH 3 O S O O CH 3 N N N H Cl O F IC50 = 3.6 nM 595.1 CN(C)C(CS(C)(=O)=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 Homo sapiens CHEMBL3385739 single protein format
CHEMBL566233 OBDepict HO N H O H H N H H O N O N O N IC50 = 3.8 nM 445.52 O=C(NO)[C@H]1C[C@H](OC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 Homo sapiens CHEMBL1043545 single protein format
CHEMBL203645 OBDepict CH 3 HN O N N N N H Cl F IC50 = 3.8 nM 383.81 CCCC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL862513 assay format
CHEMBL572091 OBDepict HO N H O H H N H O H 3 C N O N O N IC50 = 3.8 nM 457.53 CN1C[C@@H](OC(=O)N2CC=CC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ccccc2)CC1 Homo sapiens CHEMBL1043545 single protein format
CHEMBL4757592 OBDepict H 2 C NH O N H N N H N N OH N H 3 C IC50 = 3.9 nM 545.65 C=CC(=O)Nc1cccc(-c2c(-c3ccc(N4CCN(C)CC4)cc3)[nH]c3ncnc(Nc4ccc(O)cc4)c23)c1 Homo sapiens CHEMBL4670947 cell-based format
CHEMBL51659 OBDepict CH 2 HN O N N N N H Br IC50 = 3.9 nM 370.21 C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Homo sapiens CHEMBL673949 cell-based format
CHEMBL4635100 OBDepict F O Cl HN N N N O O N IC50 = 4.0 nM 574.06 O=C(/C=C/CN1CCCC1)N1CCOc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc21 Homo sapiens CHEMBL4628614 single protein format
CHEMBL1645473 OBDepict NH 2 N N N NH N Cl IC50 = 4.0 nM 356.86 NC1CCN(Cc2ccn3ncnc(Nc4cccc(Cl)c4)c23)CC1 Homo sapiens CHEMBL1647392 single protein format
CHEMBL4648271 OBDepict CH 3 N CH 3 N O O N N H N Cl O F IC50 = 4.0 nM 576.07 CCN(CC)C/C=C/C(=O)N1CCOc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc21 Homo sapiens CHEMBL4628614 single protein format
CHEMBL411897 OBDepict CH 3 O N O N N H N NH N Cl O N IC50 = 4.0 nM 510.0 COC1CCN(CCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Homo sapiens CHEMBL947895 single protein format
CHEMBL257861 OBDepict HO O N N H N N H N Cl O N IC50 = 4.0 nM 412.84 OCCOc1n[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Homo sapiens CHEMBL947895 single protein format
CHEMBL272935 OBDepict CH 3 N N O N N H N N H N Cl O N IC50 = 4.0 nM 509.01 CN1CCN(CCCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Homo sapiens CHEMBL947895 single protein format
CHEMBL479171 OBDepict OH O N N N NH O IC50 = 4.0 nM 424.46 OCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)o1 Homo sapiens CHEMBL953992 single protein format
CHEMBL3959248 OBDepict CH 3 O O HN N O N N H N CH 3 H 3 C N N IC50 = 4.0 nM 551.65 COCCOc1cc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2cc1NC(=O)/C=C/CN(C)C Homo sapiens CHEMBL3854864 cell-based format
CHEMBL1080506 OBDepict F O Cl N H N N CH 3 N H N H O N O IC50 = 4.0 nM 539.01 Cc1c(C(=O)NCCN2CCOCC2)[nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12 Homo sapiens CHEMBL1116651 single protein format
CHEMBL249928 OBDepict HO N O CH 3 O N N H N Cl O N IC50 = 4.0 nM 493.95 CN(CCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)CO Homo sapiens CHEMBL924155 single protein format
CHEMBL1645474 OBDepict NH 2 N N N NH N Br IC50 = 4.0 nM 401.31 NC1CCN(Cc2ccn3ncnc(Nc4cccc(Br)c4)c23)CC1 Homo sapiens CHEMBL1647392 single protein format
CHEMBL1923006 OBDepict OH N N N H N Cl O Cl IC50 = 4.1 nM 415.28 OCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c21 Homo sapiens CHEMBL1924800 cell-based format
CHEMBL1630107 OBDepict OH N H O O N N NH Cl O F IC50 = 4.1 nM 530.94 O=C(/C=C/c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)NO Homo sapiens CHEMBL1640695 single protein format
CHEMBL2148051 OBDepict O N H S CH 3 O O CH 3 N N HN N Cl O Cl IC50 = 4.1 nM 548.45 CC(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c21)S(C)(=O)=O Homo sapiens CHEMBL2150608 assay format
CHEMBL288812 OBDepict O HN N H N CH 3 N H 3 C CH 3 H 3 C N IC50 = 4.2 nM 363.47 Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cc2ccncc2)cc1 Homo sapiens CHEMBL698844 single protein format
CHEMBL1923019 OBDepict HO NH O N N NH N Cl O F F F IC50 = 4.3 nM 505.88 O=C(CO)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21 Homo sapiens CHEMBL1924800 cell-based format
CHEMBL1090357 OBDepict CH 3 N H 3 C N H N N N N S N H O F F IC50 = 4.3 nM 595.68 CN(C)CCc1ccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5c(F)cccc5F)c4)nc4sccn34)n2)cc1 Homo sapiens CHEMBL1108833 single protein format
CHEMBL31373 OBDepict CH 2 HN O N N N H Cl F IC50 = 4.3 nM 342.76 C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL673951 cell-based format
CHEMBL569166 OBDepict OH NH O H H N H N O N O IC50 = 4.3 nM 440.54 O=C(NO)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1 Homo sapiens CHEMBL1043545 single protein format
CHEMBL572302 OBDepict OH NH O H H N H O H 3 C N O N O N IC50 = 4.4 nM 487.6 CN1C[C@@H](OC(=O)N2CCCCCC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ccccc2)CC1 Homo sapiens CHEMBL1043545 single protein format
CHEMBL4781593 OBDepict CH 2 N H O N H N N H N O N O O IC50 = 4.5 nM 530.54 C=CC(=O)Nc1cccc(-c2c[nH]c3ncnc(Nc4ccc(OCN5C(=O)c6ccccc6C5=O)cc4)c23)c1 Homo sapiens CHEMBL4670947 cell-based format
CHEMBL1922999 OBDepict CH 3 O Cl NH N N N H IC50 = 4.6 nM 350.81 Cc1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1 Homo sapiens CHEMBL1924800 cell-based format
CHEMBL3353410 OBDepict CH 2 NH O N N H CH 3 O N N CH 3 N CH 3 CH 3 N H 3 C IC50 = 4.8 nM 499.62 C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C Homo sapiens CHEMBL4670947 cell-based format
CHEMBL1090350 OBDepict O N H N N S N N N H N O IC50 = 4.8 nM 573.68 O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1)c1ccccc1 Homo sapiens CHEMBL1108833 single protein format
CHEMBL1630112 OBDepict F O Cl NH N N S N H O H 2 N IC50 = 4.9 nM 596.09 Nc1ccccc1NC(=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)s1 Homo sapiens CHEMBL1640695 single protein format
CHEMBL444619 OBDepict H 3 C O O N N N N H CH 3 Cl O N IC50 = 5.0 nM 506.01 COc1cc(ON2CCC(C)CC2)c2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2c1 Homo sapiens CHEMBL881955 single protein format