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Q13153 | PAK1_HUMAN | Serine/threonine-protein kinase PAK 1 (PAK1)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "Wiscott-Aldrich syndrome protein, WASP, C-terminal domain" // PBD ]

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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
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 0.3 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4145887 single protein format
CHEMBL3818265 OBDepict CH 3 N H N N N O F Cl N H 3 C N O H 3 C Ki = 0.95 nM 508.99 CNc1ncc2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)c(=O)n(CCC3(F)CN(C)C3)c2n1 Homo sapiens CHEMBL3820948 assay format
CHEMBL3310505 OBDepict H 3 C N H O NH O H N H H S CH 3 CH 3 O O S O H HN H H 3 C H 3 C O IC50 < 1.0 nM 540.71 C/C=C1NC(=O)[C@H]2CSSCC/C=C/[C@@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O Homo sapiens CHEMBL4271269 cell-based format
CHEMBL3218297 OBDepict CH 3 S O O HO O N H N H S N OH N IC50 < 1.0 nM 422.49 CS(=O)(=O)O.O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1 Homo sapiens CHEMBL3224490 single protein format
CHEMBL3597011 OBDepict CH 3 N N N H O Cl IC50 = 1.0 nM 401.9 CN1CCc2cc(-c3cnc4[nH]cc(C(=O)c5ccccc5Cl)c4c3)ccc2C1 Homo sapiens CHEMBL3598610 single protein format
CHEMBL3770909 OBDepict H 3 C NH N N N O H Cl H NH 2 N N CH 3 Ki = 1.9 nM 504.04 CCNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1 Homo sapiens CHEMBL3772525 single protein format
CHEMBL3769478 OBDepict CH 3 N H H O O H N O N NH N Cl CH 3 N CH 3 Ki = 1.9 nM 506.99 CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](NC)CO3)c2n1 Homo sapiens CHEMBL3772525 single protein format
CHEMBL3770588 OBDepict H 3 C NH N N N O H Cl H NH 2 N CH 3 Ki = 2.1 nM 503.05 CCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1 Homo sapiens CHEMBL3772525 single protein format
CHEMBL3817856 OBDepict CH 3 NH N N N O F F Cl N H N O CH 3 Ki = 2.7 nM 526.98 CNc1ncc2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)c(=O)n(CC3CCNCC3(F)F)c2n1 Homo sapiens CHEMBL3820948 assay format
CHEMBL3597013 OBDepict CH 3 N N N H O Cl N S N N H 3 C IC50 = 2.8 nM 507.06 CCn1c(Nc2ccc(N3CCN(C)CC3)cc2)ncc(-c2ccc(-c3cncs3)cc2Cl)c1=O Homo sapiens CHEMBL3598610 single protein format
CHEMBL3596921 OBDepict Cl O O N H N N N N H IC50 = 3.0 nM 512.01 O=C(c1ccc(COc2ccccc2)cc1Cl)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12 Homo sapiens CHEMBL3598610 single protein format
CHEMBL3818046 OBDepict NH 2 N O N N H N Cl CH 3 N H 3 C Ki = 3.3 nM 434.93 CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCN)c2n1 Homo sapiens CHEMBL3820948 assay format
CHEMBL3819356 OBDepict NH 2 N O N N H N Cl CH 3 N O H 3 C Ki = 3.5 nM 450.93 CNc1ncc2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)c(=O)n(CCCN)c2n1 Homo sapiens CHEMBL3820948 assay format
CHEMBL3770443 OBDepict CH 3 HN N N N O H O O Cl H H 2 N N CH 3 Ki = 3.7 nM 492.97 CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 Homo sapiens CHEMBL3772525 single protein format
CHEMBL3580975 OBDepict CH 3 N N N HN Cl N N N N H H Ki = 4.0 nM 394.87 CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc(C3CC3)[nH]n2)n1 Homo sapiens CHEMBL3584415 single protein format
CHEMBL3824224 OBDepict F N N N H CH 3 H H N N N H N N H Ki = 4.0 nM 378.42 C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1nc2cc[nH]c2cc1F Homo sapiens CHEMBL3824459 assay format
CHEMBL2386717 OBDepict OH N H 3 C N N HN F N N N H N H Ki = 4.2 nM 422.47 CC(CO)N(Cc1cc(F)cc2[nH]ncc12)c1nccc(Nc2cc(C3CC3)[nH]n2)n1 Homo sapiens CHEMBL2388906 cell-based format
CHEMBL3770363 OBDepict CH 3 HN N N N O O O Cl N H N H 3 C Ki = 4.3 nM 519.01 CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CC3COC4(CNC4)OC3)c2n1 Homo sapiens CHEMBL3772525 single protein format
CHEMBL3818828 OBDepict H 3 C NH N N N O O Cl N N CH 3 O H 3 C Ki = 4.4 nM 506.99 CNc1ncc2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)c(=O)n(CCOC3CN(C)C3)c2n1 Homo sapiens CHEMBL3820948 assay format
CHEMBL3596932 OBDepict CH 3 N N N H O Cl IC50 = 4.5 nM 401.9 CN1CCc2ccc(-c3cnc4[nH]cc(C(=O)c5ccccc5Cl)c4c3)cc2C1 Homo sapiens CHEMBL3598610 single protein format
CHEMBL3818592 OBDepict NH 2 N O N N H N Cl CH 3 N O N H 3 C Ki = 4.6 nM 451.92 CNc1ncc2cc(-c3ccc(-n4ccnc(C)c4=O)cc3Cl)c(=O)n(CCCN)c2n1 Homo sapiens CHEMBL3820948 assay format
CHEMBL3580976 OBDepict CH 3 N N N HN Cl N N N N H H Ki = 5.0 nM 408.9 CCN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc(C3CC3)[nH]n2)n1 Homo sapiens CHEMBL3584415 single protein format
CHEMBL3823612 OBDepict H N N N H N N N H CH 3 H N N H Ki = 5.0 nM 360.43 C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1cc2cc[nH]c2cn1 Homo sapiens CHEMBL3824459 assay format
CHEMBL3580974 OBDepict H N N N H N N N H Cl N N H Ki = 5.0 nM 380.84 Clc1c(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)ccc2[nH]cnc12 Homo sapiens CHEMBL3584415 single protein format
CHEMBL2386718 OBDepict H N N N H F F N N N H CH 3 H N N H Ki = 5.13 nM 396.41 C[C@H](Nc1nccc(Nc2cc(C3CC3(F)F)[nH]n2)n1)c1ccc2[nH]cnc2c1 Homo sapiens CHEMBL2388906 cell-based format
CHEMBL3818479 OBDepict Cl N O N O N H 3 C N N N H F F HN O Ki = 5.2 nM 570.0 Cc1nccn(-c2ccc(-c3cc4cnc(NC5COC5)nc4n(CC4CCNCC4(F)F)c3=O)c(Cl)c2)c1=O Homo sapiens CHEMBL3820948 assay format
CHEMBL3609372 OBDepict F F N N N H Cl F H N N H O CH 3 H 3 C IC50 = 5.2 nM 479.93 CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1 Homo sapiens CHEMBL3610932 assay format
CHEMBL3596930 OBDepict OH Cl O N H N N O N CH 3 CH 3 IC50 = 5.8 nM 410.86 COc1nn(C)cc1-c1cnc2[nH]cc(C(=O)c3cc(CCO)ccc3Cl)c2c1 Homo sapiens CHEMBL3598610 single protein format
CHEMBL3818016 OBDepict CH 3 O N O N N N H Cl N O O H 3 C Ki = 5.9 nM 493.95 COCCn1c(=O)c(-c2ccc(-n3cccc(C)c3=O)cc2Cl)cc2cnc(NC3COC3)nc21 Homo sapiens CHEMBL3820948 assay format
CHEMBL3769748 OBDepict H 3 C NH N N N O Cl N H N N CH 3 Ki = 6.0 nM 490.01 CCNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(CC3CCNCC3)c2n1 Homo sapiens CHEMBL3772525 single protein format
CHEMBL3823523 OBDepict H N N N H N N N H H 3 C H N N Cl H Ki = 6.0 nM 394.87 C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]cc(Cl)c2n1 Homo sapiens CHEMBL3824459 assay format
CHEMBL3770369 OBDepict NH 2 N O N N H N Cl CH 3 N N H 3 C Ki = 6.1 nM 463.97 CCNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(CCCCN)c2n1 Homo sapiens CHEMBL3772525 single protein format
CHEMBL3817984 OBDepict CH 3 N O N N N H Cl N O O H 3 C Ki = 6.3 nM 463.93 CCn1c(=O)c(-c2ccc(-n3cccc(C)c3=O)cc2Cl)cc2cnc(NC3COC3)nc21 Homo sapiens CHEMBL3820948 assay format
CHEMBL3818432 OBDepict NH 2 N O N N H N Cl CH 3 N N O H 3 C Ki = 6.7 nM 451.92 CNc1ncc2cc(-c3ccc(-n4cncc(C)c4=O)cc3Cl)c(=O)n(CCCN)c2n1 Homo sapiens CHEMBL3820948 assay format
CHEMBL2386716 OBDepict H N N N H N N N H H 3 C H N H Ki = 6.75 nM 373.46 C[C@H](Nc1nccc(Nc2cc(C3CCC3)[nH]n2)n1)c1ccc2[nH]ccc2c1 Homo sapiens CHEMBL2388906 cell-based format
CHEMBL3769456 OBDepict CH 3 HN N N N O H Cl H H 2 N N N CH 3 Ki = 7.4 nM 490.01 CNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1 Homo sapiens CHEMBL3772525 single protein format
CHEMBL3596915 OBDepict Cl Cl O N H N N N HN IC50 = 7.5 nM 440.33 O=C(c1ccc(Cl)cc1Cl)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12 Homo sapiens CHEMBL3598610 single protein format
CHEMBL3596919 OBDepict OH Cl O N H N N N HN IC50 = 7.6 nM 435.92 O=C(c1ccc(CO)cc1Cl)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12 Homo sapiens CHEMBL3598610 single protein format
CHEMBL3609327 OBDepict CH 3 N N O N N H Cl S N N N H 3 C IC50 = 7.7 nM 558.11 CCn1c(=O)c(-c2ccc(-c3cncs3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21 Homo sapiens CHEMBL3611426 single protein format
CHEMBL3769552 OBDepict CH 3 NH N N N O H F F Cl NH N CH 3 Ki = 7.9 nM 510.98 CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@@H]3CCNCC3(F)F)c2n1 Homo sapiens CHEMBL3772525 single protein format
CHEMBL3817890 OBDepict CH 3 N H N N N H 3 C O Cl N O H 3 C Ki = 8.0 nM 421.89 CCn1c(=O)c(-c2ccc(-n3cccc(C)c3=O)cc2Cl)cc2cnc(NC)nc21 Homo sapiens CHEMBL3820948 assay format
CHEMBL3770295 OBDepict H 3 C NH N N N O H O O Cl H NH 2 N N CH 3 Ki = 8.0 nM 507.98 CCNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 Homo sapiens CHEMBL3772525 single protein format
CHEMBL3609326 OBDepict CH 3 N N O N N H Cl Cl F N NH IC50 = 8.3 nM 513.4 CCn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21 Homo sapiens CHEMBL3611430 single protein format
CHEMBL3818233 OBDepict NH 2 F F N O N N H N Cl CH 3 N O H 3 C Ki = 9.0 nM 486.91 CNc1ncc2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)c(=O)n(CC(F)(F)CN)c2n1 Homo sapiens CHEMBL3820948 assay format
CHEMBL4758500 OBDepict O N H N N H N Cl N O CH 3 IC50 = 9.8 nM 469.93 Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCc5ccncc5)n[nH]c4c3)c(Cl)c2)c1=O Homo sapiens CHEMBL4709468 cell-based format
CHEMBL3819118 OBDepict H 3 C O N Cl O N N N H O N H N H CH 3 Ki = 11.0 nM 506.99 CCc1cccn(-c2ccc(-c3cc4cnc(NC)nc4n(C[C@H]4CNCCO4)c3=O)c(Cl)c2)c1=O Homo sapiens CHEMBL3820948 assay format
CHEMBL3824061 OBDepict H N N N H H H F N N N H CH 3 H N N H Ki = 11.0 nM 378.42 C[C@H](Nc1nccc(Nc2cc([C@H]3C[C@@H]3F)[nH]n2)n1)c1ccc2[nH]ccc2n1 Homo sapiens CHEMBL3824459 assay format
CHEMBL3596922 OBDepict OH Cl O N H N N N N CH 3 IC50 = 12.0 nM 449.94 CN1CCC(n2cc(-c3cnc4[nH]cc(C(=O)c5ccc(CO)cc5Cl)c4c3)cn2)CC1 Homo sapiens CHEMBL3598610 single protein format
CHEMBL3580972 OBDepict H N N N H N N N H H 3 C H N N H Ki = 12.0 nM 360.43 C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]cnc2c1 Homo sapiens CHEMBL3584415 single protein format
CHEMBL3596914 OBDepict F Cl O N H N N N HN IC50 = 13.0 nM 423.88 O=C(c1ccc(F)cc1Cl)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12 Homo sapiens CHEMBL3598610 single protein format
CHEMBL3818273 OBDepict CH 3 O N O N N H N Cl CH 3 N O H 3 C Ki = 13.0 nM 451.91 CNc1ncc2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)c(=O)n(CCOC)c2n1 Homo sapiens CHEMBL3820948 assay format
CHEMBL3818372 OBDepict NH 2 N O N NH N Cl CH 3 N O N H 3 C Ki = 13.0 nM 439.91 CNc1ncc2cc(-c3ccc(-n4ccn(C)c4=O)cc3Cl)c(=O)n(CCCN)c2n1 Homo sapiens CHEMBL3820948 assay format
CHEMBL3128043 OBDepict H 3 C N CH 3 N H H N O CH 3 H 3 C N HN N H N S CH 3 N IC50 = 13.7 nM 490.64 Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1 Homo sapiens CHEMBL3611420 single protein format
CHEMBL3596927 OBDepict H 3 C O N N CH 3 N N H O Cl O N IC50 = 14.0 nM 473.92 COc1nn(C)cc1-c1cnc2[nH]cc(C(=O)c3ccc(COc4ccccn4)cc3Cl)c2c1 Homo sapiens CHEMBL3598610 single protein format
CHEMBL3128043 OBDepict H 3 C N CH 3 N H H N O CH 3 H 3 C N HN N H N S CH 3 N Ki = 15.0 nM 490.64 Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1 Homo sapiens CHEMBL3131925 single protein format
CHEMBL4742230 OBDepict H 3 C N H O N N H Cl N O H 3 C IC50 = 16.0 nM 392.85 CNC(=O)c1n[nH]c2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)ccc12 Homo sapiens CHEMBL4709468 cell-based format
CHEMBL4794004 OBDepict Cl N O N H 3 C H N N H O N IC50 = 16.0 nM 455.91 Cc1cccn(-c2ccc(-c3ccc4c(C(=O)Nc5ccncc5)n[nH]c4c3)c(Cl)c2)c1=O Homo sapiens CHEMBL4709468 cell-based format
CHEMBL3593824 OBDepict O N H N NH N N N CH 3 Cl N N H Ki = 16.0 nM 436.91 CN(Cc1ccc2[nH]cnc2c1Cl)c1nccc(Nc2cc(C3CCC(=O)C3)[nH]n2)n1 Homo sapiens CHEMBL3595326 single protein format
CHEMBL3818138 OBDepict OH N O N N H N Cl CH 3 N O H 3 C Ki = 17.0 nM 437.89 CNc1ncc2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)c(=O)n(CCO)c2n1 Homo sapiens CHEMBL3820948 assay format
CHEMBL3609371 OBDepict CH 3 N N N H Cl F H N N H O CH 3 H 3 C CH 3 IC50 = 18.0 nM 457.98 CCN1c2ccc(F)cc2N=C(N[C@H]2CCN(C(=O)NC(C)(C)C)C2)c2cc(Cl)ccc21 Homo sapiens CHEMBL3610932 assay format
CHEMBL3596899 OBDepict Cl O N H N N N NH IC50 = 18.0 nM 405.89 O=C(c1ccccc1Cl)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12 Homo sapiens CHEMBL3598610 single protein format
CHEMBL3594180 OBDepict H 3 C N O H N H N NH N N N CH 3 H H NH 2 Ki = 18.0 nM 412.54 CCN1CC[C@H](c2cc(Nc3ccnc(N(C)C[C@H]4CC[C@H](N)CC4)n3)n[nH]2)C1=O Homo sapiens CHEMBL3595326 single protein format
CHEMBL3823457 OBDepict CH 3 N H 3 C H N N N N H N N H N H Ki = 18.0 nM 374.45 C[C@@H](c1ccc2[nH]ccc2n1)N(C)c1nccc(Nc2cc(C3CC3)[nH]n2)n1 Homo sapiens CHEMBL3824459 assay format
CHEMBL3594175 OBDepict O N H 3 C H N H N HN N N N CH 3 Cl N N H Ki = 18.0 nM 451.92 CN1CC[C@H](c2cc(Nc3ccnc(N(C)Cc4ccc5[nH]cnc5c4Cl)n3)n[nH]2)C1=O Homo sapiens CHEMBL3595326 single protein format
CHEMBL3580954 OBDepict NH 2 N N N N H S N N H Ki = 18.0 nM 369.5 NC1CCN(c2nc(Nc3cc(C4CCC4)[nH]n3)c3sccc3n2)CC1 Homo sapiens CHEMBL3584415 single protein format
CHEMBL3770943 OBDepict CH 3 HN N N N O H O N H Cl N N CH 3 Ki = 19.0 nM 477.96 CNc1ncc2cc(-c3ccc(-c4cncc(C)n4)cc3Cl)c(=O)n(C[C@H]3CNCCO3)c2n1 Homo sapiens CHEMBL3772525 single protein format
CHEMBL4787358 OBDepict O N H N N H N Cl N O CH 3 IC50 = 21.0 nM 483.96 Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCCc5ccncc5)n[nH]c4c3)c(Cl)c2)c1=O Homo sapiens CHEMBL4709468 cell-based format
CHEMBL3596920 OBDepict CH 3 O Cl O N H N N N HN IC50 = 21.0 nM 449.94 COCc1ccc(C(=O)c2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c(Cl)c1 Homo sapiens CHEMBL3598610 single protein format
CHEMBL3580963 OBDepict H N N N H N N N H H H H 2 N Ki = 21.0 nM 327.44 N[C@H]1CC[C@@H](CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1 Homo sapiens CHEMBL3584415 single protein format
CHEMBL4784979 OBDepict CH 3 N N H O N N H Cl N O CH 3 IC50 = 22.0 nM 490.01 Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCC5CCN(C)CC5)n[nH]c4c3)c(Cl)c2)c1=O Homo sapiens CHEMBL4709468 cell-based format
CHEMBL3819447 OBDepict CH 3 O N O N N H N Cl CH 3 N N O H 3 C Ki = 22.0 nM 452.9 CNc1ncc2cc(-c3ccc(-n4cncc(C)c4=O)cc3Cl)c(=O)n(CCOC)c2n1 Homo sapiens CHEMBL3820948 assay format
CHEMBL3770186 OBDepict CH 3 N N O NH N Cl N N N H 3 C CH 3 Ki = 22.0 nM 518.07 CCn1c(=O)c(-c2ccc(-c3cncc(C)n3)cc2Cl)cc2cnc(NCCC3CCN(C)CC3)nc21 Homo sapiens CHEMBL3772525 single protein format
CHEMBL3580949 OBDepict NH 2 N N N HN S N N H Ki = 22.0 nM 355.47 NC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3sccc3n2)CC1 Homo sapiens CHEMBL3584415 single protein format
CHEMBL3596916 OBDepict N Cl O N H N N N NH IC50 = 23.0 nM 430.9 N#Cc1ccc(C(=O)c2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c(Cl)c1 Homo sapiens CHEMBL3598610 single protein format
CHEMBL3824243 OBDepict CH 3 N H H N N N N N H H N N H Ki = 23.0 nM 374.45 CC[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]ccc2n1 Homo sapiens CHEMBL3824459 assay format
CHEMBL4568087 OBDepict H 3 C N N N N N S N H O H H H 2 N IC50 = 24.0 nM 421.53 Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479760 assay format
CHEMBL3823614 OBDepict H N N N H H H F N N N H CH 3 H N N H Ki = 25.0 nM 378.42 C[C@H](Nc1nccc(Nc2cc([C@@H]3C[C@H]3F)[nH]n2)n1)c1ccc2[nH]ccc2n1 Homo sapiens CHEMBL3824459 assay format
CHEMBL3593823 OBDepict H N N N H O N N N H Cl N N H Ki = 25.0 nM 410.87 Clc1c(CNc2nccc(Nc3cc(C4CCCO4)[nH]n3)n2)ccc2[nH]cnc12 Homo sapiens CHEMBL3595326 single protein format
CHEMBL3580962 OBDepict H N N N H N N N H H H H 2 N Ki = 26.0 nM 327.44 N[C@H]1CC[C@H](CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1 Homo sapiens CHEMBL3584415 single protein format
CHEMBL3580967 OBDepict H N N NH N N HN N H Ki = 27.0 nM 345.41 c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2ccc3[nH]ccc3c2)n1 Homo sapiens CHEMBL3584415 single protein format
CHEMBL3593825 OBDepict H 3 C O CH 3 N H N NH N N N H 3 C Cl N N H Ki = 29.0 nM 426.91 COCC(C)c1cc(Nc2ccnc(N(C)Cc3ccc4[nH]cnc4c3Cl)n2)n[nH]1 Homo sapiens CHEMBL3595326 single protein format
CHEMBL593490 OBDepict H N N H 3 C N O O NH 2 H N H IC50 = 31.0 nM 463.54 Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12 Homo sapiens CHEMBL1071323 single protein format
CHEMBL3580968 OBDepict H N N N H N N N H H 3 C H N H Ki = 31.0 nM 359.44 C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]ccc2c1 Homo sapiens CHEMBL3584415 single protein format
CHEMBL3824314 OBDepict H N N N H N N N H H 3 C H N N H Ki = 32.0 nM 360.43 C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc2[nH]ccc2n1 Homo sapiens CHEMBL3824459 assay format
CHEMBL3935195 OBDepict OH CH 3 N CH 3 CH 3 N F N N H N N H 3 C IC50 = 33.0 nM 450.56 Cc1cc(C)c(N(C)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2F)cc1CO Homo sapiens CHEMBL3865529 single protein format
CHEMBL3596931 OBDepict CH 3 N N N H O Cl IC50 = 33.0 nM 387.87 CN1Cc2ccc(-c3cnc4[nH]cc(C(=O)c5ccccc5Cl)c4c3)cc2C1 Homo sapiens CHEMBL3598610 single protein format
CHEMBL3580953 OBDepict NH 2 N N N HN S N N H H 3 C CH 3 Ki = 33.0 nM 357.49 CC(C)c1cc(Nc2nc(N3CCC(N)CC3)nc3ccsc23)n[nH]1 Homo sapiens CHEMBL3584415 single protein format
CHEMBL3580951 OBDepict CH 3 N H N N H N S N N H 2 N Ki = 33.0 nM 343.46 CCc1cc(Nc2nc(N3CCC(N)CC3)nc3ccsc23)n[nH]1 Homo sapiens CHEMBL3584415 single protein format
CHEMBL4781551 OBDepict Cl N O N CH 3 H N HN O IC50 = 34.0 nM 432.91 Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCC5CC5)n[nH]c4c3)c(Cl)c2)c1=O Homo sapiens CHEMBL4709468 cell-based format
CHEMBL3818326 OBDepict NH 2 N O N N H N Cl CH 3 N O Ki = 36.0 nM 436.9 CNc1ncc2cc(-c3ccc(-n4ccccc4=O)cc3Cl)c(=O)n(CCCN)c2n1 Homo sapiens CHEMBL3820948 assay format
CHEMBL2386715 OBDepict H 3 C O N N N NH F N N N H N H Ki = 36.8 nM 422.47 COCCN(Cc1cc(F)cc2[nH]ncc12)c1nccc(Nc2cc(C3CC3)[nH]n2)n1 Homo sapiens CHEMBL2388906 cell-based format
CHEMBL3596924 OBDepict H 3 C O N CH 3 N N N H O Cl HO IC50 = 37.0 nM 396.83 COc1c(-c2cnc3[nH]cc(C(=O)c4ccc(CO)cc4Cl)c3c2)cnn1C Homo sapiens CHEMBL3598610 single protein format
CHEMBL3594177 OBDepict O N CH 3 H N H N NH N N N H 3 C H H H 2 N Ki = 37.0 nM 398.52 CN1CC[C@H](c2cc(Nc3ccnc(N(C)C[C@H]4CC[C@H](N)CC4)n3)n[nH]2)C1=O Homo sapiens CHEMBL3595326 single protein format
CHEMBL4784560 OBDepict O N H N N H O Cl N O CH 3 IC50 = 42.0 nM 476.96 Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCC5CCOCC5)n[nH]c4c3)c(Cl)c2)c1=O Homo sapiens CHEMBL4709468 cell-based format
CHEMBL3596925 OBDepict H 3 C O N N CH 3 N N H O Cl O IC50 = 43.0 nM 472.93 COc1nn(C)cc1-c1cnc2[nH]cc(C(=O)c3ccc(COc4ccccc4)cc3Cl)c2c1 Homo sapiens CHEMBL3598610 single protein format
CHEMBL4748552 OBDepict H 3 C N H O N N H Cl N O H 3 C IC50 = 45.0 nM 406.87 CCNC(=O)c1n[nH]c2cc(-c3ccc(-n4cccc(C)c4=O)cc3Cl)ccc12 Homo sapiens CHEMBL4709468 cell-based format
CHEMBL3770588 OBDepict H 3 C NH N N N O H Cl H NH 2 N CH 3 IC50 = 45.0 nM 503.05 CCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1 Homo sapiens CHEMBL3772526 cell-based format
CHEMBL3892617 OBDepict OH N CH 3 N F N N H N S O O H 3 C O IC50 = 45.0 nM 487.56 CN(c1cccc(CO)c1)c1nc(Nc2cc(N3CCOCC3)cc(S(C)(=O)=O)c2)ncc1F Homo sapiens CHEMBL3865529 single protein format
CHEMBL3594181 OBDepict O N CH 3 H N H CH 3 H N NH N N N H 3 C H H H 2 N Ki = 46.0 nM 412.54 C[C@H]1CN(C)C(=O)[C@@H]1c1cc(Nc2ccnc(N(C)C[C@H]3CC[C@H](N)CC3)n2)n[nH]1 Homo sapiens CHEMBL3595326 single protein format
CHEMBL3596926 OBDepict CH 3 O N N H 3 C N N H O Cl O F IC50 = 48.0 nM 490.92 COc1nn(C)cc1-c1cnc2[nH]cc(C(=O)c3ccc(COc4ccccc4F)cc3Cl)c2c1 Homo sapiens CHEMBL3598610 single protein format