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Q9UBF8 | PI4KB_HUMAN | Phosphatidylinositol 4-kinase beta (PI4KB)

3D structures mapped by conservation among orthologs

[ Domain: "ARM repeat" // KOG0903 ]

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[ Domain: "Protein kinase" // PI3_PI4_kinase ]

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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
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -32500.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804465 cell-based format
CHEMBL4859660 OBDepict NH 2 N F + N O NH O _ O IC50 = -13800.0 nM 378.36 Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804465 cell-based format
CHEMBL3923414 OBDepict CH 3 O S N O O O N CH 3 N N Cl N H N H O H 3 C IC50 = 0.98 nM 523.02 COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)cc1S(=O)(=O)N1CCOCC1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL3930509 OBDepict CH 3 O S N O O H 3 C H 3 C N CH 3 N N Cl N H N H O H 3 C IC50 = 2.4 nM 480.98 COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)cc1S(=O)(=O)N(C)C Homo sapiens CHEMBL3864066 single protein format
CHEMBL4205416 OBDepict CH 3 O NH N O N N N NH 2 N S N IC50 = 4.0 nM 462.54 COc1ccc(NC(=O)N2CCN(c3nc(N)nc4sc(-c5cccnc5)nc34)CC2)cc1 Homo sapiens CHEMBL4195900 assay format
CHEMBL4215340 OBDepict CH 3 O CH 3 NH N O N H H 3 C N N NH 2 N S IC50 = 4.0 nM 413.51 COc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)[C@@H](C)C2)c(C)c1 Homo sapiens CHEMBL4195901 assay format
CHEMBL4206816 OBDepict CH 3 NH N O N N N NH 2 N S N IC50 = 5.0 nM 446.54 Cc1ccc(NC(=O)N2CCN(c3nc(N)nc4sc(-c5cccnc5)nc34)CC2)cc1 Homo sapiens CHEMBL4195900 assay format
CHEMBL3958915 OBDepict H 3 C NH S HO O O O H 3 C N CH 3 N N Cl N H N CH 3 IC50 = 5.3 nM 559.09 CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)NC(CC)CO)c4)c(C)nc23)ccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL2407818 OBDepict F OH N CH 3 N N HN S O O CH 3 IC50 = 5.7 nM 426.47 Cc1nc2c(NCc3cccc(S(C)(=O)=O)c3)nccn2c1-c1ccc(O)c(F)c1 Homo sapiens CHEMBL2411433 single protein format
CHEMBL3976651 OBDepict HO NH S O O O H 3 C N CH 3 N N Cl N H N CH 3 IC50 = 6.1 nM 531.04 CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)NCCO)c4)c(C)nc23)ccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL3920652 OBDepict CH 3 O S N O O HO N H 3 C N N Cl N H N CH 3 IC50 = 6.2 nM 571.1 CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)N5CCC(O)CC5)c4)c(C)nc23)ccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL4203566 OBDepict CH 3 O CH 3 NH N O N H H 3 C N NH 2 N N S IC50 = 7.0 nM 413.51 COc1ccc(NC(=O)N2CCN(c3nc(N)nc4sncc34)[C@@H](C)C2)c(C)c1 Homo sapiens CHEMBL4195901 assay format
CHEMBL4215244 OBDepict CH 3 O CH 3 NH N O N H H 3 C N NH 2 N S IC50 = 7.0 nM 412.52 COc1ccc(NC(=O)N2CCN(c3nc(N)nc4sccc34)[C@@H](C)C2)c(C)c1 Homo sapiens CHEMBL4195901 assay format
CHEMBL3911522 OBDepict CH 3 HN S OH O O O CH 3 N CH 3 N N Cl NH N H O H 3 C IC50 = 7.23 nM 525.03 CCC(CO)NS(=O)(=O)c1cc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)ccc1OC Homo sapiens CHEMBL3864066 single protein format
CHEMBL4203041 OBDepict CH 3 O NH N O N H H 3 C N N NH 2 N S IC50 = 8.0 nM 399.48 COc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)[C@@H](C)C2)cc1 Homo sapiens CHEMBL4195901 assay format
CHEMBL1233882 OBDepict CH 3 N H 3 C N N N H 2 N N IC50 = 8.0 nM 304.36 CC(C)n1nc(-c2ccc3ncccc3c2)c2c(N)ncnc21 Homo sapiens CHEMBL1243971 single protein format
CHEMBL4202450 OBDepict CH 3 N N H N N H 3 C N H 3 C N H Cl S O O CH 3 IC50 = 8.0 nM 470.99 Cc1cc(CNc2cc(C)nc3c(-c4ccc(Cl)c(NS(C)(=O)=O)c4)c(C)nn23)ccn1 Homo sapiens CHEMBL4195900 assay format
CHEMBL3939697 OBDepict CH 2 HN S O O O CH 3 N CH 3 N N Cl NH N H 3 C IC50 = 8.6 nM 527.05 C=CCNS(=O)(=O)c1cc(-c2c(C)nc3c(NCc4ccnc(CC)c4)cc(Cl)nn23)ccc1OC Homo sapiens CHEMBL3864066 single protein format
CHEMBL3957128 OBDepict H 3 C O S N H O O N CH 3 H 3 C N CH 3 N N Cl N H N H 3 C IC50 = 9.0 nM 558.11 CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)NCCN(C)C)c4)c(C)nc23)ccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL4207851 OBDepict CH 3 O CH 3 NH N O N N N NH 2 N S IC50 = 9.0 nM 399.48 COc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)c(C)c1 Homo sapiens CHEMBL4195901 assay format
CHEMBL3959713 OBDepict CH 3 N HN N N Cl N H 3 C S N O O CH 3 H 3 C IC50 = 12.5 nM 485.01 CCc1cc(CNc2cc(Cl)nn3c(-c4cccc(S(=O)(=O)N(C)C)c4)c(C)nc23)ccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL3974986 OBDepict CH HN S O O O CH 3 N CH 3 N N Cl NH N H 3 C IC50 = 13.4 nM 525.03 C#CCNS(=O)(=O)c1cc(-c2c(C)nc3c(NCc4ccnc(CC)c4)cc(Cl)nn23)ccc1OC Homo sapiens CHEMBL3864080 assay format
CHEMBL3902513 OBDepict HO N S O O O H 3 C N CH 3 N N Cl NH N H O H 3 C IC50 = 14.9 nM 551.07 COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)cc1S(=O)(=O)N1CCC(CO)CC1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL3947384 OBDepict H 3 C O S N H O O H 2 N N CH 3 N N Cl N H N H 3 C IC50 = 15.7 nM 584.15 CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)NC5CCC(N)CC5)c4)c(C)nc23)ccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL1652677 OBDepict Cl O N O N N N NH 2 N S N IC50 = 16.0 nM 481.97 Nc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2nc(-c3cccnc3)sc2n1 Homo sapiens CHEMBL4195900 assay format
CHEMBL1241578 OBDepict Br OH N N H 2 N N N CH 3 H 3 C IC50 = 17.0 nM 348.2 CC(C)n1nc(-c2ccc(Br)c(O)c2)c2c(N)ncnc21 Homo sapiens CHEMBL1243971 single protein format
CHEMBL3929556 OBDepict CH 3 O NH S O O O H 3 C N CH 3 N N Cl N H N CH 3 IC50 = 17.2 nM 545.07 CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)NCCOC)c4)c(C)nc23)ccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL3894217 OBDepict CH 3 O S N O O O N H 3 C N N Cl N H N CH 3 IC50 = 17.6 nM 557.08 CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)N5CCOCC5)c4)c(C)nc23)ccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL4204100 OBDepict CH 3 O NH N O N H 3 C N N NH 2 N S IC50 = 18.0 nM 399.48 COc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)C(C)C2)cc1 Homo sapiens CHEMBL4195901 assay format
CHEMBL4211696 OBDepict H 3 C NH O Cl N N H O N N IC50 = 18.0 nM 445.91 CNC(=O)c1cc(-c2ccnc(C(=O)NCc3cccc(-n4cccn4)c3)c2)ccc1Cl Homo sapiens CHEMBL4195900 assay format
CHEMBL1765602 OBDepict NH 2 N N N O F F F IC50 = 18.3 nM 432.41 Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1 Homo sapiens CHEMBL1768559 single protein format
CHEMBL1229535 OBDepict HO N H S O O Cl S CH 3 N N H O CH 3 IC50 = 19.0 nM 389.89 CC(=O)/N=c1/[nH]c(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1 Homo sapiens CHEMBL4195902 single protein format
CHEMBL3948449 OBDepict CH 3 O S N O O N N CH 3 N N Cl HN N CH 3 IC50 = 19.1 nM 538.03 CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)n5cccn5)c4)c(C)nc23)ccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL3893537 OBDepict CH 2 HN S O O O CH 3 N CH 3 N N Cl NH N H O H 3 C IC50 = 19.9 nM 492.99 C=CCNS(=O)(=O)c1cc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)ccc1OC Homo sapiens CHEMBL3864066 single protein format
CHEMBL4207928 OBDepict CH 3 O N CH 3 NH N O N H H 3 C N N NH 2 N S IC50 = 20.0 nM 414.5 COc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)[C@@H](C)C2)c(C)n1 Homo sapiens CHEMBL4195901 assay format
CHEMBL2397309 OBDepict CH 3 O H H N H O N S H 3 C N H 2 N IC50 = 22.0 nM 346.46 CO[C@H]1CC[C@@H](C(=O)Nc2nc(C)c(-c3ccc(N)nc3)s2)CC1 Homo sapiens CHEMBL2399054 single protein format
CHEMBL3889874 OBDepict HO N H S O O O CH 3 N CH 3 N N Cl N H N H O H 3 C IC50 = 22.0 nM 496.98 COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)cc1S(=O)(=O)NCCO Homo sapiens CHEMBL3864066 single protein format
CHEMBL3915835 OBDepict Cl N N N H N CH 3 S N N O O H 3 C H 3 C ClH IC50 = 26.4 nM 493.42 Cc1nc2c(NCc3ccncc3)cc(Cl)nn2c1-c1cccc(S(=O)(=O)N(C)C)c1.Cl Homo sapiens CHEMBL3864066 single protein format
CHEMBL3986552 OBDepict H 3 C O S N H O O H 2 N N H 3 C N N Cl N H N H O CH 3 IC50 = 26.9 nM 550.09 COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)cc1S(=O)(=O)NC1CCC(N)CC1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL3925101 OBDepict CH 3 N HN N N Cl N H 3 C S O N O O CH 3 H 3 C H 3 C IC50 = 27.3 nM 515.04 CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)N(C)C)c4)c(C)nc23)ccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL4210308 OBDepict CH 3 O NH N O N N N NH 2 N S IC50 = 32.0 nM 461.55 COc1ccc(NC(=O)N2CCN(c3nc(N)nc4sc(-c5ccccc5)nc34)CC2)cc1 Homo sapiens CHEMBL4195900 assay format
CHEMBL3905730 OBDepict Cl N N N H N H 3 C S N H 3 C N O O H 3 C H 3 C ClH IC50 = 33.7 nM 507.45 Cc1cc(CNc2cc(Cl)nn3c(-c4cccc(S(=O)(=O)N(C)C)c4)c(C)nc23)ccn1.Cl Homo sapiens CHEMBL3864066 single protein format
CHEMBL2397312 OBDepict O N H H 3 C N S F F F CH 3 N H 2 N IC50 = 35.0 nM 344.36 Cc1nc(NC(=O)C(C)CC(F)(F)F)sc1-c1ccc(N)nc1 Homo sapiens CHEMBL2399054 single protein format
CHEMBL4211181 OBDepict CH 3 O H 3 C N H N O N H H 3 C N NH 2 N N N H 3 C IC50 = 37.0 nM 410.48 COc1ccc(NC(=O)N2CCN(c3nc(N)nc4c3cnn4C)[C@@H](C)C2)c(C)c1 Homo sapiens CHEMBL4195900 assay format
CHEMBL1986603 OBDepict O N H N H N S CH 3 N H O N O N CH 3 N IC50 = 40.0 nM 451.51 Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(-c3ccc(-n4cccn4)cc3)s2)no1 Homo sapiens CHEMBL2073009 single protein format
CHEMBL2397311 OBDepict NH 2 N S CH 3 N N H O H 3 C IC50 = 40.0 nM 330.46 Cc1nc(NC(=O)C2(C)CCCCC2)sc1-c1ccc(N)nc1 Homo sapiens CHEMBL2399054 single protein format
CHEMBL3969997 OBDepict HO N S O O O H 3 C N CH 3 N N Cl N H N CH 3 IC50 = 41.5 nM 585.13 CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)N5CCC(CO)CC5)c4)c(C)nc23)ccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL3921556 OBDepict CH 3 O S N O O HO N CH 3 N N Cl N H N H O H 3 C IC50 = 43.8 nM 537.04 COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)cc1S(=O)(=O)N1CCC(O)CC1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL2397316 OBDepict H 2 N N S H 3 C N N H O H 3 C CH 3 F F F IC50 = 48.0 nM 358.39 Cc1nc(NC(=O)C(C)(C)CC(F)(F)F)sc1-c1ccc(N)nc1 Homo sapiens CHEMBL2399054 single protein format
CHEMBL2397315 OBDepict O N H H 3 C H N S F F F CH 3 N H 2 N IC50 = 53.0 nM 344.36 Cc1nc(NC(=O)[C@@H](C)CC(F)(F)F)sc1-c1ccc(N)nc1 Homo sapiens CHEMBL2399054 single protein format
CHEMBL4209793 OBDepict CH 3 O H 3 C N H N O N H H 3 C N N NH 2 N N H 3 C IC50 = 53.0 nM 410.48 COc1ccc(NC(=O)N2CCN(c3nc(N)nc4c3ncn4C)[C@@H](C)C2)c(C)c1 Homo sapiens CHEMBL4195900 assay format
CHEMBL4217096 OBDepict CH 3 O NH N O N N N NH 2 N S IC50 = 53.0 nM 385.45 COc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)cc1 Homo sapiens CHEMBL4195900 assay format
CHEMBL2397310 OBDepict O N H H N S H CH 3 F F F N NH 2 IC50 = 53.0 nM 384.43 Cc1nc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)sc1-c1ccc(N)nc1 Homo sapiens CHEMBL2399054 single protein format
CHEMBL3914714 OBDepict CH 3 NH O HN N N Cl N H 3 C S N O O CH 3 H 3 C IC50 = 54.0 nM 450.95 CC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12 Homo sapiens CHEMBL3864066 single protein format
CHEMBL3898792 OBDepict CH 3 O S N H O O N H 3 C N N Cl N H N H 3 C IC50 = 56.0 nM 527.05 CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)NC5CC5)c4)c(C)nc23)ccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL3938589 OBDepict CH 3 O S N O O N H 3 C N N Cl N H N CH 3 IC50 = 59.2 nM 555.1 CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)N5CCCCC5)c4)c(C)nc23)ccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL1081312 OBDepict H 2 N N N N N N N H IC50 = 60.0 nM 319.37 Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1 Homo sapiens CHEMBL1243971 single protein format
CHEMBL3609523 OBDepict O N N H CH 3 N S O NH 2 N N H 3 C CH 3 H 3 C IC50 = 65.0 nM 414.54 CC(C)(C)c1ncc2c(n1)-c1sc(NC(=O)N3CCC[C@@]3(C)C(N)=O)nc1CC2 Homo sapiens CHEMBL3610734 single protein format
CHEMBL2397313 OBDepict O N H N S O N CH 3 H 3 C N NH 2 IC50 = 67.0 nM 405.48 Cc1nc(NC(=O)Cc2nc(-c3ccccc3)c(C)o2)sc1-c1ccc(N)nc1 Homo sapiens CHEMBL2399054 single protein format
CHEMBL4164334 OBDepict CH 3 H 3 C H 2 N H N H O N S CH 3 N N H Cl S O O CH 3 IC50 = 68.0 nM 494.04 Cc1ccc(S(=O)(=O)Nc2cc(-c3sc(NC(=O)[C@@H](N)C(C)C)nc3C)cnc2Cl)cc1 Homo sapiens CHEMBL4156831 single protein format
CHEMBL4646734 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H O H 3 C IC50 = 70.0 nM 383.45 COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615137 single protein format
CHEMBL4215615 OBDepict HO HN S O O Cl N H 3 C N H NH O H 3 C H Cl IC50 = 71.0 nM 497.4 Cc1nc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)[nH]c1-c1ccc(Cl)c(S(=O)(=O)NCCO)c1 Homo sapiens CHEMBL4195900 assay format
CHEMBL3933495 OBDepict Cl N N N H N CH 3 N S N O O H 3 C H 3 C ClH IC50 = 74.6 nM 493.42 Cc1nc2c(NCc3cccnc3)cc(Cl)nn2c1-c1cccc(S(=O)(=O)N(C)C)c1.Cl Homo sapiens CHEMBL3864066 single protein format
CHEMBL4471507 OBDepict O N H CH 3 H 3 C CH 3 N S H 3 C N S N H O HO IC50 = 90.0 nM 416.53 Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2cccc(C(=O)O)c2)n1 Homo sapiens CHEMBL4324541 cell-based format
CHEMBL3965171 OBDepict H 3 C O S N H O O N CH 3 H 3 C N H 3 C N N Cl N H N H O CH 3 IC50 = 93.5 nM 524.05 COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)cc1S(=O)(=O)NCCN(C)C Homo sapiens CHEMBL3864066 single protein format
CHEMBL1233881 OBDepict H 3 C O O H 3 C N N H 2 N N N IC50 = 99.0 nM 325.37 COc1ccc(-c2nn(C3CCC3)c3ncnc(N)c23)cc1OC Homo sapiens CHEMBL1243971 single protein format
CHEMBL2397303 OBDepict O N H N N S O N NH 2 IC50 = 100.0 nM 443.53 Nc1ccc(-c2cnc(NC(=O)CN(Cc3ccccc3)C(=O)c3ccncc3)s2)cc1 Homo sapiens CHEMBL2399054 single protein format
CHEMBL3939491 OBDepict CH 3 O S N H O O N CH 3 N N Cl N H NH O H 3 C IC50 = 105.8 nM 492.99 COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)cc1S(=O)(=O)NC1CC1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL4209824 OBDepict O N N H N CH 3 N N NH 2 N S IC50 = 114.0 nM 369.45 Cc1ccccc1NC(=O)N1CCN(c2nc(N)nc3scnc23)CC1 Homo sapiens CHEMBL4195901 assay format
CHEMBL4161766 OBDepict CH 3 H 3 C H 2 N H N H O N S CH 3 N N H Cl S O O CH 3 IC50 = 114.5 nM 494.04 Cc1ccccc1S(=O)(=O)Nc1cc(-c2sc(NC(=O)[C@@H](N)C(C)C)nc2C)cnc1Cl Homo sapiens CHEMBL4156831 single protein format
CHEMBL3932492 OBDepict CH 3 O HN S O O O CH 3 N CH 3 N N Cl NH N H O H 3 C IC50 = 134.8 nM 511.0 COCCNS(=O)(=O)c1cc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)ccc1OC Homo sapiens CHEMBL3864066 single protein format
CHEMBL2397317 OBDepict CH 3 O O CH 3 CH 3 N N N CH 3 N H N O IC50 = 137.0 nM 411.51 COc1ccc(-c2c(C)nn3c(NCCN4CCOCC4)cc(C)nc23)cc1OC Homo sapiens CHEMBL2399054 single protein format
CHEMBL4205444 OBDepict CH 3 NH N O N N N NH 2 N S IC50 = 145.0 nM 369.45 Cc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)cc1 Homo sapiens CHEMBL4195901 assay format
CHEMBL3924835 OBDepict Cl N N N H N CH 3 N S N O O H 3 C H 3 C ClH IC50 = 145.4 nM 493.42 Cc1nc2c(NCc3ccccn3)cc(Cl)nn2c1-c1cccc(S(=O)(=O)N(C)C)c1.Cl Homo sapiens CHEMBL3864066 single protein format
CHEMBL3948269 OBDepict CH 3 NH HN S O O O CH 3 N CH 3 N N Cl NH N H O H 3 C IC50 = 146.9 nM 510.02 CNCCNS(=O)(=O)c1cc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)ccc1OC Homo sapiens CHEMBL3864066 single protein format
CHEMBL3609525 OBDepict NH 2 O H N H H 3 C N H O N S N N CH 3 CH 3 H 3 C IC50 = 160.0 nM 414.54 C[C@@H]1CCN(C(=O)Nc2nc3c(s2)-c2nc(C(C)(C)C)ncc2CC3)[C@@H]1C(N)=O Homo sapiens CHEMBL3610734 single protein format
CHEMBL3959992 OBDepict CH 3 O S N O O N N CH 3 N N Cl N H N H O H 3 C IC50 = 163.3 nM 503.97 COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)cc1S(=O)(=O)n1cccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL4216301 OBDepict CH 3 O N CH 3 NH N O N N N NH 2 N S IC50 = 173.0 nM 400.47 COc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)c(C)n1 Homo sapiens CHEMBL4195901 assay format
CHEMBL3978329 OBDepict CH 3 O S N O O N CH 3 N N Cl N H N H O H 3 C IC50 = 189.4 nM 521.04 COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)cc1S(=O)(=O)N1CCCCC1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL1241945 OBDepict HO F N N H 2 N N N CH 3 H 3 C IC50 = 210.0 nM 287.3 CC(C)n1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL1243971 single protein format
CHEMBL3609519 OBDepict H 2 N O H N H CH 3 N H O N S N S H 3 C H 3 C CH 3 IC50 = 210.0 nM 419.58 C[C@@H]1CCN(C(=O)Nc2nc3c(s2)-c2nc(C(C)(C)C)sc2CC3)[C@@H]1C(N)=O Homo sapiens CHEMBL3610734 single protein format
CHEMBL4210718 OBDepict Cl O N O N N N H 2 N N S IC50 = 216.0 nM 404.88 Nc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2ncsc2n1 Homo sapiens CHEMBL4195901 assay format
CHEMBL2397314 OBDepict O N H H 3 C H N S F F F CH 3 N H 2 N IC50 = 225.0 nM 344.36 Cc1nc(NC(=O)[C@H](C)CC(F)(F)F)sc1-c1ccc(N)nc1 Homo sapiens CHEMBL2399054 single protein format
CHEMBL2069328 OBDepict O N H N H N S CH 3 NH O H 3 C H 3 C CH 3 O CH 3 IC50 = 240.0 nM 402.52 CC(=O)c1ccc(-c2sc(NC(=O)NCCC(=O)NC(C)(C)C)nc2C)cc1 Homo sapiens CHEMBL2073009 single protein format
CHEMBL3608927 OBDepict NH 2 O H N H CH 3 HN O N S CH 3 N S F F F IC50 = 250.0 nM 459.52 Cc1nc(NC(=O)N2CC[C@@H](C)[C@H]2C(N)=O)sc1-c1csc(C2(C(F)(F)F)CC2)n1 Homo sapiens CHEMBL3611505 single protein format
CHEMBL4213363 OBDepict CH 3 O NH N O H H 3 C H CH 3 N N N NH 2 N S IC50 = 275.0 nM 413.51 COc1ccc(NC(=O)N2C[C@H](C)N(c3nc(N)nc4scnc34)C[C@H]2C)cc1 Homo sapiens CHEMBL4195901 assay format
CHEMBL4174988 OBDepict CH 3 H 3 C H 2 N H N H O N S CH 3 N N H Cl S O O CH 3 IC50 = 300.2 nM 494.04 Cc1cccc(S(=O)(=O)Nc2cc(-c3sc(NC(=O)[C@@H](N)C(C)C)nc3C)cnc2Cl)c1 Homo sapiens CHEMBL4156831 single protein format
CHEMBL4210332 OBDepict CH 3 NH N O N N N NH 2 N S IC50 = 312.0 nM 369.45 Cc1cccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)c1 Homo sapiens CHEMBL4195901 assay format
CHEMBL4203671 OBDepict CH 3 O CH 3 NH N O N H H 3 C N N NH 2 N S IC50 = 316.0 nM 413.51 COc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)[C@H](C)C2)c(C)c1 Homo sapiens CHEMBL4195901 assay format
CHEMBL3609514 OBDepict H 2 N O H N N H O N S N S CH 3 CH 3 H 3 C IC50 = 320.0 nM 405.55 CC(C)(C)c1nc2c(s1)CCc1nc(NC(=O)N3CCC[C@H]3C(N)=O)sc1-2 Homo sapiens CHEMBL3610734 single protein format
CHEMBL1241674 OBDepict HO N H N N H 2 N N N CH 3 H 3 C IC50 = 408.0 nM 308.35 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21 Homo sapiens CHEMBL1243971 single protein format
CHEMBL4202963 OBDepict H 3 C O N CH 3 NH N O N N N NH 2 N S IC50 = 414.0 nM 400.47 COc1cc(C)c(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)cn1 Homo sapiens CHEMBL4195901 assay format
CHEMBL3942710 OBDepict CH 3 N N H N N Cl N H 3 C O H 3 C IC50 = 444.1 nM 407.91 CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)cc4)c(C)nc23)ccn1 Homo sapiens CHEMBL3864066 single protein format
CHEMBL1242028 OBDepict F HO N F N H 2 N N N CH 3 H 3 C IC50 = 470.0 nM 305.29 CC(C)n1nc(-c2cc(F)c(O)cc2F)c2c(N)ncnc21 Homo sapiens CHEMBL1243971 single protein format
CHEMBL4206897 OBDepict O N N H N N N NH 2 N S IC50 = 517.0 nM 355.43 Nc1nc(N2CCN(C(=O)Nc3ccccc3)CC2)c2ncsc2n1 Homo sapiens CHEMBL4195901 assay format
CHEMBL1241581 OBDepict CH 3 O NH 2 N N NH 2 N N IC50 = 530.0 nM 324.39 COc1cc(-c2nn(C3CCCC3)c3ncnc(N)c23)ccc1N Homo sapiens CHEMBL1243971 single protein format
CHEMBL4208440 OBDepict CH 3 O NH N O H CH 3 N H H 3 C N N NH 2 N S IC50 = 543.0 nM 413.51 COc1ccc(NC(=O)N2C[C@H](C)N(c3nc(N)nc4scnc34)[C@H](C)C2)cc1 Homo sapiens CHEMBL4195900 assay format
CHEMBL4214728 OBDepict O N N H N N O N NH 2 N S F F F IC50 = 548.0 nM 439.42 Nc1nc(N2CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c2ncsc2n1 Homo sapiens CHEMBL4195901 assay format
CHEMBL4461468 OBDepict H 2 C NH O S N S CH 3 N N H O H 3 C IC50 = 570.0 nM 308.39 C=CC(=O)Nc1nc(-c2sc(NC(C)=O)nc2C)cs1 Homo sapiens CHEMBL4324508 cell-based format
CHEMBL4531023 OBDepict OH N S N S O CH 3 CH 3 N N H O H 3 C IC50 = 600.0 nM 416.53 CC(=O)Nc1nc(C)c(-c2csc(N(CCO)c3cccc(C(C)=O)c3)n2)s1 Homo sapiens CHEMBL4324541 cell-based format