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P49674 | KC1E_HUMAN | Casein kinase I isoform epsilon (CSNK1E)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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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
CHEMBL3962177 OBDepict H 2 N N O N N CH 3 N N N N N H F O N F IC50 = 0.2 nM 572.58 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1N1CCN(C(=O)CN)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3981677 OBDepict F N N CH 3 N N N N N H O N O N IC50 = 0.8 nM 577.62 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1C1CCN(Cc2ccon2)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3958519 OBDepict CH 3 O N N H N O N Cl O H 2 N F IC50 < 1.0 nM 461.93 CON=C1CCC(NC(=O)N2CCn3c(Cl)c(-c4cccc(F)c4)c(C(N)=O)c3C2)CC1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3944279 OBDepict CH 3 O N O H 2 N N NH O H 3 C H 3 C CH 3 IC50 < 1.0 nM 370.45 COc1ccc(-c2cn3c(c2C(N)=O)CN(C(=O)NC(C)(C)C)CC3)cc1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3902838 OBDepict F N N H 3 C N N N N H NH O N N O IC50 = 1.0 nM 581.66 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N5CCOCC5)c4)cn3n2)c1C1CCNCC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3902265 OBDepict F N N CH 3 N N N N N H O N O N F IC50 = 1.0 nM 595.61 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1C1CCN(Cc2ccon2)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3981764 OBDepict N N O NH 2 N F N H O F F IC50 < 1.0 nM 445.45 N#Cc1c(-c2cccc(F)c2)c(C(N)=O)c2n1CCN(C(=O)NC1CCC(F)(F)CC1)C2 Homo sapiens CHEMBL3887985 single protein format
CHEMBL4483506 OBDepict F N N N N N N IC50 = 1.0 nM 442.54 Fc1ccc(-c2nc3ccc(N4CCC(N5CCCC5)CC4)nn3c2-c2ccncc2)cc1 Homo sapiens CHEMBL4328713 single protein format
CHEMBL3921967 OBDepict F Cl N O NH 2 N HN O CH 3 OH IC50 = 1.0 nM 448.93 CC1(O)CCC(NC(=O)N2CCn3c(Cl)c(-c4cccc(F)c4)c(C(N)=O)c3C2)CC1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3967436 OBDepict N N N O NH 2 F HN O CH 3 CH 3 F F F IC50 < 1.0 nM 437.4 CC(C)(NC(=O)N1CCn2c(C#N)c(-c3cccc(F)c3)c(C(N)=O)c2C1)C(F)(F)F Homo sapiens CHEMBL3887985 single protein format
CHEMBL3948935 OBDepict N N O NH 2 N F HN O CH 3 CH 3 CH 3 IC50 < 1.0 nM 383.43 CC(C)(C)NC(=O)N1CCn2c(C#N)c(-c3cccc(F)c3)c(C(N)=O)c2C1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3921116 OBDepict F Br N O NH 2 N HN O CH 3 CH 3 CH 3 IC50 < 1.0 nM 437.31 CC(C)(C)NC(=O)N1CCn2c(Br)c(-c3cccc(F)c3)c(C(N)=O)c2C1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3933557 OBDepict O O HN + N N O _ O O CH 3 CH 3 CH 3 IC50 < 1.0 nM 349.39 CC(C)(C)ON=C1CCC(NC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3939027 OBDepict NH 2 O N N N H 3 C N N N N N H F O N F IC50 = 1.3 nM 572.58 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1N1CCN(CC(N)=O)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3922511 OBDepict NH 2 O N N H 3 C N N N N N H F O N F IC50 = 1.3 nM 571.59 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1C1CCN(CC(N)=O)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3982382 OBDepict CH 3 S N O NH 2 N N H O H 3 C CH 3 H 3 C IC50 = 1.5 nM 426.59 CSc1ccc(-c2c(C(N)=O)c3n(c2C2CC2)CCN(C(=O)NC(C)(C)C)C3)cc1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3957543 OBDepict F N N CH 3 N N N HN N H O S H 3 C N N IC50 = 1.5 nM 593.69 Cc1nc(-c2ccncc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCNCC3)ccc2n1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3895083 OBDepict OH N N H 3 C N N N N N H F O N IC50 = 1.5 nM 540.6 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1C1CCN(CCO)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3910924 OBDepict F N N CH 3 N N N O N H O N IC50 = 1.8 nM 497.53 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1C1CCOCC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3907925 OBDepict F N N H 3 C N N N N N H NH O N N O IC50 = 1.8 nM 582.64 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N5CCOCC5)c4)cn3n2)c1N1CCNCC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3893731 OBDepict F N N CH 3 N N N HN N H O S H 3 C N N IC50 = 1.8 nM 593.69 Cc1nc(-c2cccnc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCNCC3)ccc2n1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3961316 OBDepict HO N N N CH 3 N N N N N H F O N F IC50 = 1.8 nM 559.58 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1N1CCN(CCO)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3932533 OBDepict F N N H 3 C N N N O NH O N IC50 = 1.9 nM 573.63 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cccc(-c5cccnc5)c4)cn3n2)c1C1CCOCC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3922012 OBDepict F N N H 3 C N N N N N H O N IC50 = 1.9 nM 536.62 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1C1CCN(C2CC2)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3930764 OBDepict F Cl N O NH 2 N HN O CH 3 CH 3 F F F IC50 = 2.0 nM 446.83 CC(C)(NC(=O)N1CCn2c(Cl)c(-c3cccc(F)c3)c(C(N)=O)c2C1)C(F)(F)F Homo sapiens CHEMBL3887985 single protein format
CHEMBL3906666 OBDepict H 3 C O Cl N O H 2 N N NH O CH 3 CH 3 H 3 C IC50 = 2.0 nM 404.9 COc1ccc(-c2c(C(N)=O)c3n(c2Cl)CCN(C(=O)NC(C)(C)C)C3)cc1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3966265 OBDepict F Cl N O NH 2 N N H O F F IC50 = 2.0 nM 454.88 NC(=O)c1c(-c2cccc(F)c2)c(Cl)n2c1CN(C(=O)NC1CCC(F)(F)CC1)CC2 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3980827 OBDepict H 3 C O Cl N O H 2 N N NH O CH 3 CH 3 H 3 C IC50 = 2.0 nM 404.9 COc1cccc(-c2c(C(N)=O)c3n(c2Cl)CCN(C(=O)NC(C)(C)C)C3)c1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3916620 OBDepict N N N O NH 2 F HN O CH 3 F F F IC50 = 2.0 nM 423.37 CC(NC(=O)N1CCn2c(C#N)c(-c3cccc(F)c3)c(C(N)=O)c2C1)C(F)(F)F Homo sapiens CHEMBL3887985 single protein format
CHEMBL3899331 OBDepict F Cl N O H 2 N N N H O OH F F F IC50 = 2.0 nM 502.9 NC(=O)c1c(-c2cccc(F)c2)c(Cl)n2c1CN(C(=O)NC1CCC(O)(C(F)(F)F)CC1)CC2 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3926405 OBDepict F N N CH 3 N N N O N H O N F IC50 = 2.0 nM 515.52 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1C1CCOCC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3940253 OBDepict H 3 C O H 3 C N O H 2 N N NH O CH 3 CH 3 H 3 C IC50 = 2.0 nM 384.48 COc1ccc(-c2c(C(N)=O)c3n(c2C)CCN(C(=O)NC(C)(C)C)C3)cc1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3971152 OBDepict F N N CH 3 N N N N N N H O N O N NH 2 IC50 = 2.2 nM 593.63 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N)c4)cn3n2)c1N1CCN(Cc2ccon2)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3986585 OBDepict F N N CH 3 N N N O N H O S H 3 C N N IC50 = 2.3 nM 594.68 Cc1nc(-c2cccnc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCOCC3)ccc2n1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3913933 OBDepict F N N CH 3 N N N N N H N H O N F IC50 = 2.3 nM 515.53 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1N1CCNCC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3936095 OBDepict F N N CH 3 N N N N N H N H O N H 2 N IC50 = 2.4 nM 512.55 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N)c4)cn3n2)c1N1CCNCC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3942825 OBDepict N N N CH 3 N N N N N H F O N F IC50 = 2.6 nM 567.6 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1C1CCN(CCC#N)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3943491 OBDepict CH 3 O N O N H 3 C N N N N N H F O N F IC50 = 2.7 nM 586.6 COCC(=O)N1CCC(c2c(-c3ccc4nc(NC(=O)c5ccnc(F)c5)cn4n3)c(-c3ccc(F)cc3)nn2C)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3904940 OBDepict O N HN CH 3 H 3 C CH 3 N O H 2 N IC50 = 3.0 nM 456.59 CC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3ccc(-c4ccccc4)cc3)c2C2CC2)C1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3934271 OBDepict F Cl N O NH 2 N HN O CH 3 CH 3 CH 3 IC50 = 3.0 nM 392.86 CC(C)(C)NC(=O)N1CCn2c(Cl)c(-c3cccc(F)c3)c(C(N)=O)c2C1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3983892 OBDepict F Cl N O NH 2 N HN O CH 3 F F F IC50 = 3.0 nM 432.81 CC(NC(=O)N1CCn2c(Cl)c(-c3cccc(F)c3)c(C(N)=O)c2C1)C(F)(F)F Homo sapiens CHEMBL3887985 single protein format
CHEMBL3906580 OBDepict F N N CH 3 N N N O N H O S H 3 C N N IC50 = 3.0 nM 594.68 Cc1nc(-c2ccncc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCOCC3)ccc2n1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3943616 OBDepict F Cl N O NH 2 N N H O H H HO IC50 = 3.0 nM 434.9 NC(=O)c1c(-c2cccc(F)c2)c(Cl)n2c1CN(C(=O)N[C@H]1CC[C@H](O)CC1)CC2 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3935382 OBDepict F N N CH 3 N N N N N N H O N O N IC50 = 3.1 nM 578.61 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1N1CCN(Cc2ccon2)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3948521 OBDepict F N N CH 3 N N N N N H O N IC50 = 3.2 nM 490.5 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1-c1ccncc1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3916526 OBDepict F N N CH 3 N N N N H N H O N IC50 = 3.3 nM 496.55 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1C1CCNCC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3889846 OBDepict F N N CH 3 N N N N N H N H O N IC50 = 3.3 nM 497.54 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1N1CCNCC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3933835 OBDepict CH 3 O N N H O N N N N N N H 3 C N H F IC50 = 3.6 nM 527.56 COc1cc(C(=O)Nc2cn3nc(-c4c(-c5ccc(F)cc5)nn(C)c4N4CCNCC4)ccc3n2)ccn1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3952882 OBDepict F N N CH 3 N N N N O N H O N F IC50 = 3.7 nM 516.51 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1N1CCOCC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3926825 OBDepict F N N CH 3 N N N N N N H O N O N F IC50 = 3.9 nM 596.6 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1N1CCN(Cc2ccon2)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3962841 OBDepict CH 3 N H CH 3 N O N Cl O H 2 N IC50 = 4.0 nM 402.93 CCC(CC)CNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3897060 OBDepict CH 3 Cl N O NH 2 N HN O H 3 C H 3 C CH 3 IC50 = 4.0 nM 388.9 Cc1cccc(-c2c(C(N)=O)c3n(c2Cl)CCN(C(=O)NC(C)(C)C)C3)c1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3892730 OBDepict N N O H 2 N N F N H O F F F IC50 = 4.0 nM 437.4 N#Cc1c(-c2cccc(F)c2)c(C(N)=O)c2n1CCN(C(=O)NCCCC(F)(F)F)C2 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3928822 OBDepict CH 3 O N O NH 2 N N H O IC50 = 4.0 nM 502.66 COc1ccc(-c2c(C(N)=O)c3n(c2C2CC2)CCN(C(=O)NCC24CC5CC(CC(C5)C2)C4)C3)cc1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3916209 OBDepict O N NH N Cl O H 2 N IC50 = 4.0 nM 400.91 NC(=O)c1c(-c2ccccc2)c(Cl)n2c1CN(C(=O)NC1CCCCC1)CC2 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3936473 OBDepict O N N H N Cl O NH 2 IC50 = 4.0 nM 410.91 NC(=O)c1c(-c2ccccc2)c(Cl)n2c1CN(C(=O)NC13C=CC(CC1)C3)CC2 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3974772 OBDepict F Cl N O NH 2 N N H O H 3 C O IC50 = 4.0 nM 420.87 CC1(CNC(=O)N2CCn3c(Cl)c(-c4cccc(F)c4)c(C(N)=O)c3C2)COC1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3893126 OBDepict F Cl N O NH 2 N HN O O CH 3 CH 3 IC50 = 4.0 nM 448.93 CC1(C)CC(NC(=O)N2CCn3c(Cl)c(-c4cccc(F)c4)c(C(N)=O)c3C2)CCO1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3915776 OBDepict O N HN N H 3 C H 3 C CH 3 Cl O H 2 N IC50 = 4.0 nM 388.9 CC(C)(C)CNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3948816 OBDepict OH N H N O N Cl O NH 2 F IC50 = 4.0 nM 420.87 NC(=O)c1c(-c2cccc(F)c2)c(Cl)n2c1CN(C(=O)NCC1(CO)CC1)CC2 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3972809 OBDepict O N HN CH 3 H 3 C CH 3 N Cl O H 2 N F F F IC50 = 4.0 nM 442.87 CC(C)(C)NC(=O)N1CCn2c(Cl)c(-c3cccc(C(F)(F)F)c3)c(C(N)=O)c2C1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3919427 OBDepict CH 3 N O NH 2 N N H O H 3 C CH 3 H 3 C IC50 = 4.0 nM 394.52 Cc1cccc(-c2c(C(N)=O)c3n(c2C2CC2)CCN(C(=O)NC(C)(C)C)C3)c1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL4111304 OBDepict O N N H H 3 C H 3 C CH 3 N O H 2 N N CH 3 CH 3 IC50 = 4.0 nM 423.56 CN(C)c1ccc(-c2c(C(N)=O)c3n(c2C2CC2)CCN(C(=O)NC(C)(C)C)C3)cc1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3946837 OBDepict CH 3 O N O NH 2 N N H O H 3 C CH 3 H 3 C IC50 = 4.0 nM 410.52 COc1cccc(-c2c(C(N)=O)c3n(c2C2CC2)CCN(C(=O)NC(C)(C)C)C3)c1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL4435154 OBDepict CH 3 CH 3 NH N N N N N IC50 = 4.6 nM 384.49 CC1(C)CN(c2ccc3nc(-c4ccccc4)c(-c4ccncc4)n3n2)CCN1 Homo sapiens CHEMBL4328713 single protein format
CHEMBL3953610 OBDepict N N N N CH 3 N N N N N H F O N F IC50 = 4.6 nM 568.59 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1N1CCN(CCC#N)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3959158 OBDepict F N N CH 3 N N N N H O N OH IC50 = 4.7 nM 429.42 Cn1cc(-c2ccc3nc(NC(=O)c4cncc(O)c4)cn3n2)c(-c2ccc(F)cc2)n1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3938867 OBDepict F N N H 3 C N N N O NH O N N O IC50 = 4.8 nM 582.64 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N5CCOCC5)c4)cn3n2)c1C1CCOCC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3907142 OBDepict F N N CH 3 N N N N H O N N O IC50 = 4.8 nM 498.52 Cn1cc(-c2ccc3nc(NC(=O)c4ccnc(N5CCOCC5)c4)cn3n2)c(-c2ccc(F)cc2)n1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3893281 OBDepict F N N CH 3 N N N N O N H O S H 3 C N N IC50 = 4.9 nM 595.66 Cc1nc(-c2cccnc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3N3CCOCC3)ccc2n1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3925387 OBDepict CH 3 N N CH 3 N N N N N H F O N IC50 = 5.0 nM 510.58 CN1CCC(c2c(-c3ccc4nc(NC(=O)c5ccncc5)cn4n3)c(-c3ccc(F)cc3)nn2C)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3944316 OBDepict CH 3 CH 3 N H N O N Cl O H 2 N IC50 = 5.0 nM 388.9 CC(C)CCNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3981110 OBDepict F Cl N O H 2 N N N H O F F F IC50 = 5.0 nM 418.78 NC(=O)c1c(-c2cccc(F)c2)c(Cl)n2c1CN(C(=O)NCC(F)(F)F)CC2 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3958671 OBDepict F N N CH 3 N N N N H O IC50 = 5.6 nM 412.43 Cn1cc(-c2ccc3nc(NC(=O)c4ccccc4)cn3n2)c(-c2ccc(F)cc2)n1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3920293 OBDepict OH CH 3 CH 3 N H N O N Cl O H 2 N F IC50 = 6.0 nM 422.89 CC(C)(CO)CNC(=O)N1CCn2c(Cl)c(-c3cccc(F)c3)c(C(N)=O)c2C1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3962278 OBDepict OH CH 3 CH 3 N H N O N Cl O H 2 N F F F IC50 = 6.0 nM 472.9 CC(C)(CO)CNC(=O)N1CCn2c(Cl)c(-c3cccc(C(F)(F)F)c3)c(C(N)=O)c2C1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3969316 OBDepict N Cl N O NH 2 N HN O O IC50 = 6.0 nM 427.89 N#Cc1cccc(-c2c(C(N)=O)c3n(c2Cl)CCN(C(=O)NC2CCOCC2)C3)c1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3956390 OBDepict O N N H N O NH 2 IC50 = 6.0 nM 472.63 NC(=O)c1c(-c2ccccc2)c(C2CC2)n2c1CN(C(=O)NCC13CC4CC(CC(C4)C1)C3)CC2 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3948801 OBDepict F Cl N O NH 2 N NH O O IC50 = 6.0 nM 392.82 NC(=O)c1c(-c2cccc(F)c2)c(Cl)n2c1CN(C(=O)NC1COC1)CC2 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3924829 OBDepict F N N CH 3 N N N N H O IC50 = 6.0 nM 470.55 Cn1cc(-c2ccc3nc(NC(=O)C45CC6CC(CC(C6)C4)C5)cn3n2)c(-c2ccc(F)cc2)n1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3977481 OBDepict F N N H 3 C N N N N H O N N CH 3 IC50 = 6.1 nM 416.42 Cn1cc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)cn1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3930043 OBDepict CH 3 N CH 3 N H O N N N N N H 3 C F IC50 = 6.3 nM 497.58 CCN(CC)Cc1ccc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)cc1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3890290 OBDepict F N N CH 3 N N N N N H O N S N IC50 = 6.4 nM 593.69 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1C1CCN(Cc2nccs2)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3941604 OBDepict F N N H 3 C N N N N H O N CH 3 IC50 = 6.4 nM 427.44 Cc1ccncc1C(=O)Nc1cn2nc(-c3cn(C)nc3-c3ccc(F)cc3)ccc2n1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3953061 OBDepict F N N H 3 C N N N N H O N N H 3 C CH 3 IC50 = 6.6 nM 456.49 CN(C)c1ccc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)cn1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3892824 OBDepict F N N CH 3 N N N N H O S N IC50 = 6.6 nM 419.45 Cn1cc(-c2ccc3nc(NC(=O)c4cncs4)cn3n2)c(-c2ccc(F)cc2)n1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3935757 OBDepict CH 3 O F N H O N N N N N H 3 C F IC50 = 6.8 nM 460.44 COc1cc(F)cc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)c1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3967471 OBDepict CH 3 O N O NH 2 N NH O IC50 = 7.0 nM 488.63 COc1ccc(-c2c(C(N)=O)c3n(c2C2CC2)CCN(C(=O)NCC24CC5CC(CC2C5)C4)C3)cc1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3936177 OBDepict O N HN CH 3 H 3 C CH 3 N Cl O H 2 N IC50 = 7.0 nM 374.87 CC(C)(C)NC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3903876 OBDepict F N N H 3 C N N N N N H O N N H N IC50 = 7.4 nM 576.64 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1C1CCN(Cc2cc[nH]n2)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3931942 OBDepict F N N CH 3 N N N N N H F O N F IC50 = 7.4 nM 574.61 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1C1CCN(CCCF)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3940237 OBDepict F N N CH 3 N N N N H O N IC50 = 7.4 nM 413.42 Cn1cc(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c(-c2ccc(F)cc2)n1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3923060 OBDepict F N N H 3 C N N N N N H O O N IC50 = 7.7 nM 580.67 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1C1CCN(C2CCOCC2)CC1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3921603 OBDepict F N N H 3 C N N N N NH O N N O IC50 = 7.9 nM 575.61 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N5CCOCC5)c4)cn3n2)c1-c1ccncc1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3941685 OBDepict F N N H 3 C N N N N H O N IC50 = 7.9 nM 495.56 Cn1cc(-c2ccc3nc(NC(=O)c4ccc(CN5CCCC5)cc4)cn3n2)c(-c2ccc(F)cc2)n1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3947948 OBDepict F N N CH 3 N N N N O N H O S H 3 C N N IC50 = 7.9 nM 595.66 Cc1nc(-c2ccncc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3N3CCOCC3)ccc2n1 Homo sapiens CHEMBL3889261 single protein format
CHEMBL3925634 OBDepict F Cl N O NH 2 N N H O S O O IC50 = 8.0 nM 454.91 NC(=O)c1c(-c2cccc(F)c2)c(Cl)n2c1CN(C(=O)NC1CCS(=O)(=O)C1)CC2 Homo sapiens CHEMBL3887985 single protein format
CHEMBL1951415 OBDepict NH 2 N N N N F IC50 = 8.0 nM 337.4 Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1 Homo sapiens CHEMBL1954390 assay format
CHEMBL3951263 OBDepict F N O H 2 N N HN O CH 3 H 3 C CH 3 IC50 = 8.0 nM 398.48 CC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3cccc(F)c3)c2C2CC2)C1 Homo sapiens CHEMBL3887985 single protein format
CHEMBL3932369 OBDepict F N N CH 3 N N N N N N H O O N O N IC50 = 8.1 nM 592.6 Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1N1CCN(C(=O)c2ccon2)CC1 Homo sapiens CHEMBL3889261 single protein format