HOME LIGAND hPROTEOME OTHERS DOCUMENT

O14757 | CHK1_HUMAN | Serine/threonine-protein kinase Chk1 (CHEK1)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

download pymol session

[ Domain: "Kinase associated domain 1, KA1" // NAF ]

download pymol session



[ 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
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -20100.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804363 cell-based format
CHEMBL4868141 OBDepict H 2 N N O O HN NH S O O IC50 = -16000.0 nM 532.67 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804363 cell-based format
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -9600.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804363 cell-based format
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = -8900.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804363 cell-based format
CHEMBL3963146 OBDepict CH 3 O N H O S N H N N Ki = 0.0 nM 416.51 CCONC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 Homo sapiens CHEMBL3881028 assay format
CHEMBL3915607 OBDepict H 3 C N N CH 3 HN O O N H N N Ki = 0.0 nM 476.54 CCn1nc(C)cc1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1 Homo sapiens CHEMBL3881028 assay format
CHEMBL3982880 OBDepict CH 3 N N CH 3 N H O CH 3 N H F N H N N Ki = 0.0 nM 495.56 CCn1nc(C)cc1C(=O)Nc1cc(Nc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c(F)cc1C Homo sapiens CHEMBL3881028 assay format
CHEMBL3904168 OBDepict CH 2 N N CH 3 HN O O N H N N Ki = 0.0 nM 488.55 C=CCn1nc(C)cc1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1 Homo sapiens CHEMBL3881028 assay format
CHEMBL3891895 OBDepict CH 3 N N H 3 C HN O O N H N N Ki = 0.0 nM 462.51 Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c2)n(C)n1 Homo sapiens CHEMBL3881028 assay format
CHEMBL3953227 OBDepict H 3 C N N CH 3 N H O O N H N N Ki = 0.0 nM 464.53 CCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1 Homo sapiens CHEMBL3881028 assay format
CHEMBL3955019 OBDepict CH 3 O CH 3 N H O S N H N N Ki = 0.0 nM 430.53 CC(C)ONC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 Homo sapiens CHEMBL3881028 assay format
CHEMBL3965277 OBDepict CH N H O S N H N N Ki = 0.0 nM 410.5 C#CCNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 Homo sapiens CHEMBL3881028 assay format
CHEMBL3930485 OBDepict H 3 C N N CH 3 N H O CH 3 O N H N N Ki = 0.0 nM 490.57 CCn1nc(C)cc1C(=O)Nc1cc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)ccc1C Homo sapiens CHEMBL3881028 assay format
CHEMBL3901827 OBDepict CH 3 N N CH 3 HN O O N H N N Ki = 0.0 nM 490.57 CCCn1nc(C)cc1C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1 Homo sapiens CHEMBL3881028 assay format
CHEMBL1289926 OBDepict H 3 C N H O S N H N N Ki = 0.0 nM 386.48 CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 Homo sapiens CHEMBL3881028 assay format
CHEMBL2011352 OBDepict NH 2 HN O N S N N H N N N S O O CH 3 IC50 = 0.03 nM 502.63 CS(=O)(=O)N1CCN(c2ccnc(Nc3ncc(-c4cncc(C(=O)NCCN)c4)s3)c2)CC1 Homo sapiens CHEMBL2014579 single protein format
CHEMBL3694397 OBDepict H 3 C O N H Cl N H O HN N N N N HN IC50 = 0.03 nM 521.03 COc1cc(CCNCc2ccc(N3CCNCC3)cc2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1 Homo sapiens CHEMBL3706261 organism-based format
CHEMBL2011353 OBDepict H 2 N N H O N S N N H N N N O CH 3 IC50 = 0.03 nM 466.57 CC(=O)N1CCN(c2ccnc(Nc3ncc(-c4cncc(C(=O)NCCN)c4)s3)c2)CC1 Homo sapiens CHEMBL2014579 single protein format
CHEMBL2010809 OBDepict H 2 N NH O N S N N H N N O IC50 = 0.05 nM 425.52 NCCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1 Homo sapiens CHEMBL2014579 single protein format
CHEMBL2011354 OBDepict H 2 N N H O N S N N H N N F F IC50 = 0.05 nM 459.53 NCCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)(F)CC4)ccn3)s2)c1 Homo sapiens CHEMBL2014248 single protein format
CHEMBL2011350 OBDepict H 2 N NH O N S N N H N N HN IC50 = 0.05 nM 424.53 NCCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)c1 Homo sapiens CHEMBL2014248 single protein format
CHEMBL2013170 OBDepict H 2 N N H O N S N N H N N F F IC50 = 0.05 nM 445.5 NCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)(F)CC4)ccn3)s2)c1 Homo sapiens CHEMBL2014579 single protein format
CHEMBL2013169 OBDepict H 2 N N H O N S N N H N N F IC50 = 0.07 nM 427.51 NCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)CC4)ccn3)s2)c1 Homo sapiens CHEMBL2014579 single protein format
CHEMBL1223526 OBDepict H N N CH 3 N O N H IC50 = 0.1 nM 264.29 Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc[nH]3)ccc12 Homo sapiens CHEMBL1228388 cell-based format
CHEMBL247646 OBDepict CH 3 O O N N OH H H OH HO IC50 = 0.1 nM 444.49 COc1cc2c(cc1OC[C@@H](O)CO)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1 Homo sapiens CHEMBL888355 single protein format
CHEMBL248012 OBDepict CH 3 O O N N OH H H OH HO IC50 = 0.1 nM 444.49 COc1cc2c(cc1OC[C@H](O)CO)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1 Homo sapiens CHEMBL888355 single protein format
CHEMBL248194 OBDepict OH O OH O CH 3 N N H HO IC50 < 0.1 nM 444.49 COc1cc2c(cc1OC(CO)CO)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1 Homo sapiens CHEMBL888355 single protein format
CHEMBL219789 OBDepict H 2 N N N N H N H N N H N F IC50 = 0.11 nM 444.52 NCc1nn[nH]c1-c1ccc2c(-c3cc4cc(CN5CCC(F)CC5)ccc4[nH]3)n[nH]c2c1 Homo sapiens CHEMBL855120 single protein format
CHEMBL3694385 OBDepict CH 3 O HN Cl HN O N H N CH 3 H N N N N H IC50 = 0.13 nM 535.05 COc1cc(CCN[C@@H](C)c2ccc(N3CCNCC3)cc2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1 Homo sapiens CHEMBL3706261 organism-based format
CHEMBL241231 OBDepict OH OH N H N N H N Ki = 0.18 nM 426.52 Oc1ccc(-c2ccc(-c3cc(Nc4ccc(CN5CCCC5)cc4)n[nH]3)cc2)c(O)c1 Homo sapiens CHEMBL899086 assay format
CHEMBL392692 OBDepict CH 3 N CH 3 N H N N H OH HO Ki = 0.19 nM 400.48 CN(C)Cc1ccc(Nc2cc(-c3ccc(-c4ccc(O)cc4O)cc3)[nH]n2)cc1 Homo sapiens CHEMBL899086 assay format
CHEMBL392900 OBDepict CH 3 N H H 3 C N N H N N H OH HO Ki = 0.2 nM 429.52 CCC(C)NCc1ccc(Nc2cc(-c3ccc(-c4ccc(O)cc4O)cc3)[nH]n2)cn1 Homo sapiens CHEMBL899086 assay format
CHEMBL247825 OBDepict CH 3 O O N N H O HO IC50 = 0.2 nM 454.53 COc1cc2c(cc1OC1CCOCC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1 Homo sapiens CHEMBL888355 single protein format
CHEMBL248036 OBDepict H 3 C O O N N N H N CH 3 HO IC50 = 0.2 nM 510.64 COc1cc2c(cc1OCCCN1CCN(C)CC1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2 Homo sapiens CHEMBL888355 single protein format
CHEMBL232810 OBDepict CH 3 O N H N H N N HO IC50 = 0.21 nM 480.61 COc1cc2c(cc1CNCCN1CCCC1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2 Homo sapiens CHEMBL896339 single protein format
CHEMBL3694387 OBDepict N N N NH N H O O Cl CH 3 N H O O IC50 = 0.23 nM 480.91 COc1cc(CCNCc2ccc3c(c2)OCO3)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1 Homo sapiens CHEMBL3706261 organism-based format
CHEMBL234868 OBDepict H 3 C O N O N H N HO OH IC50 = 0.24 nM 481.55 COc1cc2c(cc1C(=O)N1CCC(O)CC1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2 Homo sapiens CHEMBL896339 single protein format
CHEMBL428196 OBDepict CH 3 O N H O N H N H H OH HO IC50 = 0.24 nM 495.58 COc1cc2c(cc1C(=O)N[C@H]1CC[C@H](O)CC1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2 Homo sapiens CHEMBL896339 single protein format
CHEMBL374424 OBDepict H 3 C O HO N H N N H N IC50 = 0.25 nM 452.56 COc1cc(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)ccc1O Homo sapiens CHEMBL855120 single protein format
CHEMBL2011359 OBDepict NH 2 O N S N N H N N O IC50 = 0.27 nM 410.5 NCCC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1 Homo sapiens CHEMBL2014248 single protein format
CHEMBL3694382 OBDepict H 3 C O N H Cl N H O HN N N N O CH 3 IC50 = 0.28 nM 466.93 COc1ccc(CNCCc2cc(OC)c(NC(=O)Nc3cnc(C#N)cn3)cc2Cl)cc1 Homo sapiens CHEMBL3706261 organism-based format
CHEMBL241233 OBDepict HO OH N H N N H N N Ki = 0.3 nM 441.54 Oc1ccc(-c2ccc(-c3cc(Nc4ccc(CN5CCCCC5)nc4)n[nH]3)cc2)c(O)c1 Homo sapiens CHEMBL899086 assay format
CHEMBL400397 OBDepict N N O N NH O N H O Cl O N O IC50 = 0.3 nM 500.94 N#Cc1ncc2nc1OC/C=CCOc1cc(OCCCN3CCOCC3)c(Cl)cc1NC(=O)N2 Homo sapiens CHEMBL942709 single protein format
CHEMBL399916 OBDepict N N O N N H O NH O Cl HO IC50 = 0.3 nM 373.76 N#Cc1ncc2nc1OC/C=CCOc1cc(O)c(Cl)cc1NC(=O)N2 Homo sapiens CHEMBL942709 single protein format
CHEMBL249443 OBDepict H 2 N N O H N N HO H IC50 = 0.3 nM 410.48 NCCCc1cc2c(-c3ccc(O)cc3)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12 Homo sapiens CHEMBL924433 assay format
CHEMBL249363 OBDepict N N O N N H O NH O Cl H 2 N IC50 = 0.3 nM 372.77 N#Cc1ncc2nc1OC/C=CCOc1cc(N)c(Cl)cc1NC(=O)N2 Homo sapiens CHEMBL942709 single protein format
CHEMBL1223184 OBDepict CH 3 O OH HN O Se CH 3 N H O N IC50 = 0.3 nM 550.52 COc1cc(-c2ccc3c(c2)NC(=O)/C3=Cc2cc(C(=O)NCCN3CCCC3)c(C)[se]2)ccc1O Homo sapiens CHEMBL1227640 single protein format
CHEMBL400805 OBDepict N N O N N H O NH O Cl HO IC50 = 0.3 nM 375.77 N#Cc1ncc2nc1OCCCCOc1cc(O)c(Cl)cc1NC(=O)N2 Homo sapiens CHEMBL942709 single protein format
CHEMBL219788 OBDepict HO N N N H N H N N H N F IC50 = 0.3 nM 445.5 OCc1nn[nH]c1-c1ccc2c(-c3cc4cc(CN5CCC(F)CC5)ccc4[nH]3)n[nH]c2c1 Homo sapiens CHEMBL855120 single protein format
CHEMBL374713 OBDepict OH N N N H N H N N H N IC50 = 0.3 nM 427.51 OCc1n[nH]nc1-c1ccc2c(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)n[nH]c2c1 Homo sapiens CHEMBL855120 single protein format
CHEMBL2013161 OBDepict NH 2 N H O N S N N H N Cl IC50 = 0.3 nM 374.86 NCCNC(=O)c1cncc(-c2cnc(Nc3ncccc3Cl)s2)c1 Homo sapiens CHEMBL2014579 single protein format
CHEMBL3582227 OBDepict CH 3 N N N N H N N IC50 = 0.31 nM 422.54 Cn1cc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)cn1 Homo sapiens CHEMBL3584717 single protein format
CHEMBL377312 OBDepict Cl N HN H O H N N N H IC50 = 0.32 nM 419.92 O=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 Homo sapiens CHEMBL871263 single protein format
CHEMBL3694379 OBDepict N N N N H N H O O Cl CH 3 H 3 C NH F IC50 = 0.32 nM 482.95 CC(C)Oc1cc(CCNCc2ccc(F)cc2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1 Homo sapiens CHEMBL3706261 organism-based format
CHEMBL221448 OBDepict H 2 N O N H O N H N IC50 = 0.34 nM 400.48 NC(=O)c1ccc2[nH]c(=O)c(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)cc2c1 Homo sapiens CHEMBL908460 single protein format
CHEMBL378967 OBDepict CH 3 N NH OH H N N N H IC50 = 0.35 nM 399.5 Cc1ccc2nc(O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1 Homo sapiens CHEMBL871263 single protein format
CHEMBL398606 OBDepict CH 3 N H H 3 C N H N N H OH HO Ki = 0.36 nM 414.51 CC(C)NCc1ccc(Nc2cc(-c3ccc(-c4ccc(O)cc4O)cc3)[nH]n2)cc1 Homo sapiens CHEMBL899086 assay format
CHEMBL241232 OBDepict OH HO N H N N H HN Ki = 0.38 nM 412.49 Oc1ccc(-c2ccc(-c3cc(Nc4ccc(CNC5CC5)cc4)n[nH]3)cc2)c(O)c1 Homo sapiens CHEMBL899086 assay format
CHEMBL1223409 OBDepict OH HN O Se CH 3 HN O N IC50 = 0.4 nM 520.49 Cc1[se]c(/C=C2C(=O)Nc3cc(-c4ccc(O)cc4)ccc32)cc1C(=O)NCCN1CCCC1 Homo sapiens CHEMBL1227640 single protein format
CHEMBL1223408 OBDepict H 3 C N CH 3 HN O H 3 C Se O N H OH IC50 = 0.4 nM 522.51 CCN(CC)CCNC(=O)c1cc(/C=C2C(=O)Nc3cc(-c4ccc(O)cc4)ccc32)[se]c1C Homo sapiens CHEMBL1227640 single protein format
CHEMBL2011356 OBDepict H 2 N NH O N S N N H N N O IC50 = 0.4 nM 439.55 NCCNC(=O)c1cncc(-c2cnc(Nc3cc(CN4CCOCC4)ccn3)s2)c1 Homo sapiens CHEMBL2014248 single protein format
CHEMBL4448921 OBDepict H 3 C N H N N N H N N H 3 C N O N H N H IC50 = 0.4 nM 405.47 CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C)c1 Homo sapiens CHEMBL4394697 cell-based format
CHEMBL248199 OBDepict CH 3 O O N N O H HO IC50 = 0.4 nM 440.5 COc1cc2c(cc1OC1CCOC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1 Homo sapiens CHEMBL888355 single protein format
CHEMBL4577258 OBDepict CH 3 O HO H 3 C N H N N N H N N H 3 C N O N H N H IC50 = 0.4 nM 465.52 CC(=O)O.CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C)c1 Homo sapiens CHEMBL4394697 cell-based format
CHEMBL2013162 OBDepict H 2 N NH O N S N N H N CH 3 IC50 = 0.4 nM 354.44 Cc1cccnc1Nc1ncc(-c2cncc(C(=O)NCCN)c2)s1 Homo sapiens CHEMBL2014579 single protein format
CHEMBL232809 OBDepict OH N H O CH 3 N N H HO IC50 = 0.43 nM 427.5 COc1cc2c(cc1CNCCO)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2 Homo sapiens CHEMBL896339 single protein format
CHEMBL3694383 OBDepict H 3 C O N H Cl N H O HN N N N N N H 3 C IC50 = 0.45 nM 535.05 COc1cc(CCNCc2ccc(N3CCN(C)CC3)cc2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1 Homo sapiens CHEMBL3706261 organism-based format
CHEMBL3694375 OBDepict N N N N H N H O O Br CH 3 NH F IC50 = 0.45 nM 499.34 COc1cc(CCNCc2ccc(F)cc2)c(Br)cc1NC(=O)Nc1cnc(C#N)cn1 Homo sapiens CHEMBL3706261 organism-based format
CHEMBL3582223 OBDepict H N N N O N N IC50 = 0.46 nM 409.49 c1ncc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)o1 Homo sapiens CHEMBL3584717 single protein format
CHEMBL3694381 OBDepict CH 3 O N H Cl O H 3 C N H NH O N N N IC50 = 0.47 nM 466.93 COc1cccc(CNCCc2cc(OC)c(NC(=O)Nc3cnc(C#N)cn3)cc2Cl)c1 Homo sapiens CHEMBL3706261 organism-based format
CHEMBL3694388 OBDepict CH 3 O N H Cl N H O NH N N O CH 3 N IC50 = 0.48 nM 466.93 COc1ccccc1CNCCc1cc(OC)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl Homo sapiens CHEMBL3706261 organism-based format
CHEMBL239737 OBDepict OH OH HN O N H N N N H Ki = 0.5 nM 385.38 O=C(Nc1ccc(O)cc1O)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 Homo sapiens CHEMBL899086 assay format
CHEMBL4444269 OBDepict H 3 C N H N N N H N N H 3 C N O N HN IC50 = 0.5 nM 405.47 CNc1nc(Nc2cnc(C#N)c(OC3CCNCC3)c2)ncc1-c1cnn(C)c1 Homo sapiens CHEMBL4394697 cell-based format
CHEMBL1223263 OBDepict CH 3 O OH HN O Se CH 3 N H O N N IC50 = 0.5 nM 561.5 COc1cc(-c2ccc3c(c2)NC(=O)/C3=Cc2cc(C(=O)NCCCn3ccnc3)c(C)[se]2)ccc1O Homo sapiens CHEMBL1227640 single protein format
CHEMBL249429 OBDepict NH 2 N O H N H IC50 = 0.5 nM 303.36 NCCc1cc2cc[nH]c(=O)c2c2cc(-c3ccc[nH]3)ccc12 Homo sapiens CHEMBL924433 assay format
CHEMBL4753307 OBDepict CH 3 O O N N H HN N H N H N CH 3 N IC50 = 0.5 nM 393.45 COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NC1C[C@@H]2CC[C@H](C1)N2C Homo sapiens CHEMBL4706921 single protein format
CHEMBL209982 OBDepict Cl N NH OH H N N HN H IC50 = 0.5 nM 379.85 Oc1nc2ccc(Cl)cc2c(N[C@H]2CCNC2)c1-c1nc2ccccc2[nH]1 Homo sapiens CHEMBL871263 single protein format
CHEMBL4752718 OBDepict N N N NH N N H H O OH H 3 C H 3 C N H IC50 = 0.5 nM 393.45 CC(C)(O)C#Cc1cnc(Nc2cnc(C#N)cn2)cc1NC[C@H]1CNCCO1 Homo sapiens CHEMBL4706921 single protein format
CHEMBL245802 OBDepict H 3 C O O CH 3 N N H N OH IC50 = 0.5 nM 385.42 COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)nc3)c1C2 Homo sapiens CHEMBL923939 single protein format
CHEMBL1223182 OBDepict H 3 C O OH N H O Se H 3 C HN O N H 3 C CH 3 IC50 = 0.5 nM 524.48 COc1cc(-c2ccc3c(c2)NC(=O)/C3=Cc2cc(C(=O)NCCN(C)C)c(C)[se]2)ccc1O Homo sapiens CHEMBL1227640 single protein format
CHEMBL4742233 OBDepict N N N N H N NH N S H O CH 3 HN IC50 = 0.5 nM 408.49 Cc1cnc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@H]2CNCCO2)s1 Homo sapiens CHEMBL4706921 single protein format
CHEMBL1223478 OBDepict HO N H O Se CH 3 NH O N N IC50 = 0.5 nM 531.47 Cc1[se]c(/C=C2C(=O)Nc3cc(-c4ccc(O)cc4)ccc32)cc1C(=O)NCCCn1ccnc1 Homo sapiens CHEMBL1227640 single protein format
CHEMBL393993 OBDepict CH 3 O N N H N N CH 3 HO IC50 = 0.51 nM 466.59 COc1cc2c(cc1CN1CCN(C)CC1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2 Homo sapiens CHEMBL896339 single protein format
CHEMBL232808 OBDepict CH 3 O N O N H N O HO IC50 = 0.55 nM 467.53 COc1cc2c(cc1C(=O)N1CCOCC1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2 Homo sapiens CHEMBL896339 single protein format
CHEMBL3544911 OBDepict NH 2 O O N H 3 C H N N H N N N IC50 = 0.56 nM 365.4 COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1 Homo sapiens CHEMBL4394697 cell-based format
CHEMBL234871 OBDepict CH 3 O N H N H N H H OH HO IC50 = 0.56 nM 481.6 COc1cc2c(cc1CN[C@H]1CC[C@H](O)CC1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2 Homo sapiens CHEMBL896339 single protein format
CHEMBL3694386 OBDepict CH 3 O HN Cl HN O N H N CH 3 H N N O CH 3 IC50 = 0.56 nM 480.96 COc1ccc([C@H](C)NCCc2cc(OC)c(NC(=O)Nc3cnc(C#N)cn3)cc2Cl)cc1 Homo sapiens CHEMBL3706261 organism-based format
CHEMBL270181 OBDepict OH O O N H CH 3 N H O O + N H 3 C O _ O IC50 = 0.58 nM 451.44 COc1cc2c(cc1OCCO)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 Homo sapiens CHEMBL950060 single protein format
CHEMBL404189 OBDepict CH 3 O O N H H 3 C N H O O + N H 3 C O _ O IC50 = 0.6 nM 421.41 COc1cc2c(cc1OC)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 Homo sapiens CHEMBL950060 single protein format
CHEMBL249237 OBDepict NH 2 N O H N O IC50 = 0.6 nM 413.52 NCCc1cc2cc[nH]c(=O)c2c2cc(-c3ccc(CN4CCOCC4)cc3)ccc12 Homo sapiens CHEMBL924433 assay format
CHEMBL1223183 OBDepict CH 3 N H 3 C NH O CH 3 Se O N H O HO H 3 C IC50 = 0.6 nM 552.53 CCN(CC)CCNC(=O)c1cc(/C=C2C(=O)Nc3cc(-c4ccc(O)c(OC)c4)ccc32)[se]c1C Homo sapiens CHEMBL1227640 single protein format
CHEMBL1223407 OBDepict H 3 C N H 3 C N H O CH 3 Se O N H HO IC50 = 0.6 nM 494.45 Cc1[se]c(/C=C2C(=O)Nc3cc(-c4ccc(O)cc4)ccc32)cc1C(=O)NCCN(C)C Homo sapiens CHEMBL1227640 single protein format
CHEMBL400740 OBDepict CH 3 N O O CH 3 N N H HO IC50 = 0.6 nM 481.6 CCN1CCCC(Oc2cc3c(cc2OC)Cc2c-3n[nH]c2-c2ccc(-c3ccc(O)cc3)cc2)C1 Homo sapiens CHEMBL888355 single protein format
CHEMBL245601 OBDepict CH 3 O O N CH 3 N N H CH 3 H 3 C OH IC50 = 0.6 nM 469.59 COc1cc2c(cc1OCC(C)CN(C)C)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2 Homo sapiens CHEMBL888355 single protein format
CHEMBL221554 OBDepict O N H N H S N N IC50 = 0.64 nM 440.57 O=c1[nH]c2ccc(-c3cnsc3)cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Homo sapiens CHEMBL908460 single protein format
CHEMBL374662 OBDepict H N N N H O N H N IC50 = 0.65 nM 423.52 O=c1[nH]c2ccc(-c3cn[nH]c3)cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Homo sapiens CHEMBL908460 single protein format
CHEMBL218489 OBDepict NH 2 N N H O N H O NH 2 IC50 = 0.7 nM 429.52 NCC1CCN(Cc2ccc3[nH]c(-c4cc5cc(C(N)=O)ccc5[nH]c4=O)cc3c2)CC1 Homo sapiens CHEMBL908460 single protein format
CHEMBL248002 OBDepict CH 3 O O N N H N CH 3 CH 3 HO IC50 = 0.7 nM 455.56 COc1cc2c(cc1OCCCN(C)C)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1 Homo sapiens CHEMBL888355 single protein format
CHEMBL247826 OBDepict CH 3 O O N N H H HO IC50 = 0.7 nM 464.57 COc1cc2c(cc1OC[C@H]1CC=CCC1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1 Homo sapiens CHEMBL888355 single protein format
CHEMBL256193 OBDepict OH O O N H CH 3 N H O O + N H 3 C O _ O IC50 = 0.7 nM 479.49 COc1cc2c(cc1OCCCCO)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 Homo sapiens CHEMBL950060 single protein format