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O96017 | CHK2_HUMAN | Serine/threonine-protein kinase Chk2 (CHEK2)

3D structures mapped by conservation among orthologs

[ Domain: "SMAD/FHA domain" // FHA ]

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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
CHEMBL195041 OBDepict HO S N N H O NH 2 IC50 = 2.3 nM 361.43 NC(=O)c1ccc2[nH]c(-c3ccc(Sc4ccc(O)cc4)cc3)nc2c1 Homo sapiens CHEMBL874429 single protein format
CHEMBL3980850 OBDepict Cl CH 2 N N H O H 2 N IC50 = 3.0 nM 373.84 C=C(c1ccc(Cl)cc1)c1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL1236782 OBDepict CH 3 O O CH 3 N N N H H HN H HO OH H 3 C H 3 C F IC50 = 3.0 nM 442.49 COc1cc2nc(-c3cc(F)ccc3O)nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC Homo sapiens CHEMBL1663817 single protein format
CHEMBL195177 OBDepict NH 2 O N N H S NH O O Cl Cl IC50 = 3.4 nM 461.33 NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccc(Cl)c(Cl)c4)cc3)nc2c1 Homo sapiens CHEMBL874429 single protein format
CHEMBL3958697 OBDepict NH 2 O N N H S Cl F IC50 = 4.0 nM 397.86 NC(=O)c1ccc2[nH]c(-c3ccc(Sc4ccc(F)c(Cl)c4)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL3935794 OBDepict OH Cl F F F N N H O NH 2 IC50 = 4.0 nM 445.83 NC(=O)c1ccc2[nH]c(-c3ccc(C(O)c4ccc(Cl)c(C(F)(F)F)c4)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL3894962 OBDepict NH 2 O N N H O HO Br IC50 = 4.0 nM 424.25 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Br)c(O)c4)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL3949796 OBDepict Cl N N H O NH 2 IC50 = 4.0 nM 361.83 NC(=O)c1ccc2[nH]c(-c3ccc(Cc4ccc(Cl)cc4)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL359881 OBDepict NH 2 O N N H O Cl H 3 C IC50 = 4.4 nM 377.83 Cc1ccc(Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1Cl Homo sapiens CHEMBL874429 single protein format
CHEMBL179717 OBDepict NH 2 O N N H O Cl F F F IC50 = 4.5 nM 431.8 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)cc3)nc2c1 Homo sapiens CHEMBL874429 single protein format
CHEMBL3947096 OBDepict NH 2 O N N H IC50 = 5.0 nM 377.45 NC(=O)c1ccc2[nH]c(-c3ccc(Cc4ccc5ccccc5c4)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL3917001 OBDepict CH 3 O S N N H O H 2 N IC50 = 5.0 nM 375.45 COc1ccc(Sc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL3956891 OBDepict CH 3 O Br O N N H O H 2 N IC50 = 5.0 nM 438.28 COc1cc(Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)ccc1Br Homo sapiens CHEMBL3882739 single protein format
CHEMBL3904143 OBDepict NH 2 O N N H CH 3 H 3 C IC50 = 5.0 nM 355.44 Cc1ccc(Cc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1C Homo sapiens CHEMBL3882742 single protein format
CHEMBL3933085 OBDepict OH N N H O H 2 N IC50 = 5.0 nM 393.45 NC(=O)c1ccc2[nH]c(-c3ccc(C(O)c4ccc5ccccc5c4)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL1650128 OBDepict H 3 C O O O N CH 3 N N H OH H F NH H HO CH 3 CH 3 IC50 = 5.0 nM 486.54 COCCOc1cc2nc(-c3cc(F)ccc3O)nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC Homo sapiens CHEMBL1663817 single protein format
CHEMBL3930129 OBDepict Cl CH 3 N N H O H 2 N IC50 = 5.0 nM 375.86 CC(c1ccc(Cl)cc1)c1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL4072515 OBDepict O NH N N H O N N + N O _ O H 3 C IC50 = 5.5 nM 544.57 Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc(C(=O)NCc5ccccc5)ccc4[nH]3)cc2)c1[N+](=O)[O-] Homo sapiens CHEMBL4034965 single protein format
CHEMBL175553 OBDepict NH 2 O N N H O Cl Cl IC50 = 5.5 nM 398.25 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Cl)c(Cl)c4)cc3)nc2c1 Homo sapiens CHEMBL874429 single protein format
CHEMBL4159805 OBDepict H 3 C O O S N N O N F N N H O OH IC50 = 5.56 nM 569.57 CCOC(=O)CSc1nc(Oc2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)c(C#N)c(-c2ccc(F)cc2)n1 Homo sapiens CHEMBL4148177 single protein format
CHEMBL3916197 OBDepict NH 2 O N N H O F Cl IC50 = 6.0 nM 381.79 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Cl)c(F)c4)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL3931376 OBDepict I O N N H O NH 2 IC50 = 6.0 nM 455.25 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(I)cc4)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL3909679 OBDepict NH 2 O N N H HN S O O Cl Cl IC50 = 6.0 nM 461.33 NC(=O)c1ccc2[nH]c(-c3ccc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL193990 OBDepict Cl S O O N N H O NH 2 IC50 = 6.6 nM 411.87 NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)c4ccc(Cl)cc4)cc3)nc2c1 Homo sapiens CHEMBL874429 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 6.7 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL972529 single protein format
CHEMBL4093249 OBDepict O NH N N H O N + N N O _ O CH 3 IC50 = 6.9 nM 536.59 Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc(C(=O)NC5CCCCC5)ccc4[nH]3)cc2)c1[N+](=O)[O-] Homo sapiens CHEMBL4034965 single protein format
CHEMBL3909860 OBDepict O N N H O H 2 N IC50 = 7.0 nM 391.43 NC(=O)c1ccc2[nH]c(-c3ccc(C(=O)c4ccc5ccccc5c4)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL192161 OBDepict N N N N H N H O O Cl CH 3 O IC50 = 7.0 nM 373.8 CC1(COc2ccc(Cl)cc2NC(=O)Nc2cnc(C#N)cn2)COC1 Homo sapiens CHEMBL831645 single protein format
CHEMBL3919437 OBDepict OH CH 3 CH 3 N N H O H 2 N IC50 = 7.0 nM 371.44 Cc1ccc(C(O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1C Homo sapiens CHEMBL3882742 single protein format
CHEMBL3967758 OBDepict O Cl Cl N N H O NH 2 IC50 = 7.0 nM 410.26 NC(=O)c1ccc2[nH]c(-c3ccc(C(=O)c4ccc(Cl)c(Cl)c4)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL3968771 OBDepict OH Cl Cl N N H O NH 2 IC50 = 8.0 nM 412.28 NC(=O)c1ccc2[nH]c(-c3ccc(C(O)c4ccc(Cl)c(Cl)c4)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL1650131 OBDepict H N N OH N N HN H N H H HO H 3 C CH 3 IC50 = 8.0 nM 430.51 CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(-c2cc(-c3cc[nH]n3)ccc2O)nc2ccccc12 Homo sapiens CHEMBL1663817 single protein format
CHEMBL332551 OBDepict O NH N N OH N H 2 N H IC50 = 8.0 nM 295.3 Nc1nc(C2=C3C(=Nc4ccccc43)C(=O)NCC2)c(O)[nH]1 Homo sapiens CHEMBL833022 single protein format
CHEMBL191969 OBDepict Cl S N N H O NH 2 IC50 = 8.2 nM 379.87 NC(=O)c1ccc2[nH]c(-c3ccc(Sc4ccc(Cl)cc4)cc3)nc2c1 Homo sapiens CHEMBL874429 single protein format
CHEMBL3897209 OBDepict OH N N N H O H 2 N IC50 = 9.0 nM 394.43 NC(=O)c1ccc2[nH]c(-c3ccc(C(O)c4cnc5ccccc5c4)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL3942698 OBDepict Cl HO O N N H O H 2 N IC50 = 9.0 nM 379.8 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Cl)cc4O)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL3943846 OBDepict Cl OH N N H O NH 2 IC50 = 9.0 nM 377.83 NC(=O)c1ccc2[nH]c(-c3ccc(C(O)c4ccc(Cl)cc4)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL1234108 OBDepict HO N N N NH H N H N H IC50 = 9.0 nM 372.43 Oc1ccc(-c2ccn[nH]2)cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1 Homo sapiens CHEMBL1663817 single protein format
CHEMBL3911761 OBDepict NH 2 O N N H S N O O IC50 = 9.0 nM 418.48 NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)N4Cc5ccccc5C4)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL175472 OBDepict NH 2 O N N H O HO Cl IC50 = 9.8 nM 379.8 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Cl)c(O)c4)cc3)nc2c1 Homo sapiens CHEMBL874429 single protein format
CHEMBL4165600 OBDepict H 3 C O HN N CH 3 N O N N N H O OH IC50 = 9.95 nM 558.6 COc1ccc(N/N=C/c2c(C)nn(-c3ccccc3)c2Oc2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)cc1 Homo sapiens CHEMBL4146617 single protein format
CHEMBL574737 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H H HO IC50 = 10.0 nM 482.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O Homo sapiens CHEMBL1228398 single protein format
CHEMBL3904091 OBDepict NH 2 O N N H S NH O O H IC50 = 10.0 nM 432.51 NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)N[C@H]4CCc5ccccc54)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL2041933 OBDepict NH 2 NH O S N H O H F N H IC50 < 10.0 nM 362.43 NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1 Homo sapiens CHEMBL2072700 single protein format
CHEMBL3953915 OBDepict NH 2 O N N H O Cl F IC50 = 10.0 nM 381.79 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(F)c(Cl)c4)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL3909532 OBDepict CH 3 S N N H O H 2 N IC50 = 10.0 nM 373.48 CCc1ccc(Sc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL1650129 OBDepict CH 3 O O H 3 C N N N H H NH H OH HO F IC50 = 11.0 nM 414.44 COc1cc2nc(-c3cc(F)ccc3O)nc(N[C@@H]3CNC[C@H]3CO)c2cc1OC Homo sapiens CHEMBL1663817 single protein format
CHEMBL3926180 OBDepict O Cl F F F N N H O NH 2 IC50 = 11.0 nM 443.81 NC(=O)c1ccc2[nH]c(-c3ccc(C(=O)c4ccc(Cl)c(C(F)(F)F)c4)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL1650126 OBDepict CH 3 O O N N NH H OH N H F IC50 = 11.0 nM 398.44 COCCOc1ccc2c(N[C@H]3CCNC3)nc(-c3cc(F)ccc3O)nc2c1 Homo sapiens CHEMBL1663817 single protein format
CHEMBL3924211 OBDepict Cl O + N O _ O N N H O H 2 N IC50 = 11.0 nM 408.8 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4cccc(Cl)c4)c([N+](=O)[O-])c3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL4170221 OBDepict H 2 N N H O N CH 3 N O N N N H O NH 2 IC50 = 11.13 nM 494.52 Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)c1/C=N/NC(N)=O Homo sapiens CHEMBL4146617 single protein format
CHEMBL4177291 OBDepict H 2 N N H S N CH 3 N O N N N H + N O _ O IC50 = 11.49 nM 512.56 Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)c1/C=N/NC(N)=S Homo sapiens CHEMBL4146617 single protein format
CHEMBL4170505 OBDepict CH 3 N N N O N H N N H + N O _ O IC50 = 11.73 nM 529.56 Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)c1/C=N/Nc1ccccc1 Homo sapiens CHEMBL4146617 single protein format
CHEMBL3901442 OBDepict CH 3 N N H O H 2 N IC50 = 12.0 nM 355.44 CCc1ccc(Cc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL361378 OBDepict F O F F F N N H O NH 2 IC50 = 12.0 nM 415.35 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)ccc4F)cc3)nc2c1 Homo sapiens CHEMBL874429 single protein format
CHEMBL362255 OBDepict NH 2 O N N H O CH 3 H 3 C IC50 = 12.0 nM 357.41 Cc1ccc(Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1C Homo sapiens CHEMBL874429 single protein format
CHEMBL1650125 OBDepict CH 3 O O N CH 3 N NH OH H F HN IC50 = 12.0 nM 384.41 COc1cc2nc(-c3cc(F)ccc3O)nc(N[C@H]3CCNC3)c2cc1OC Homo sapiens CHEMBL1663817 single protein format
CHEMBL369254 OBDepict NH 2 O N N H O IC50 = 12.0 nM 379.42 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc5ccccc5c4)cc3)nc2c1 Homo sapiens CHEMBL874429 single protein format
CHEMBL4173655 OBDepict H 2 N N H S N CH 3 N O N N N H O OH IC50 = 12.9 nM 511.57 Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)c1/C=N/NC(N)=S Homo sapiens CHEMBL4146617 single protein format
CHEMBL253116 OBDepict OH HN CH 3 NH S N H OH N N H IC50 = 13.0 nM 383.48 CC(CO)NC(=N)c1c(O)nsc1Nc1ccc(Nc2ccccc2)cc1 Homo sapiens CHEMBL873741 single protein format
CHEMBL3935552 OBDepict NH 2 O N N H S NH O O F F F IC50 = 13.0 nM 460.44 NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccc(C(F)(F)F)cc4)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL3922168 OBDepict CH 3 OH N N H O NH 2 IC50 = 13.0 nM 371.44 CCc1ccc(C(O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL364978 OBDepict Cl + S _ O N N H O NH 2 IC50 = 13.0 nM 395.87 NC(=O)c1ccc2[nH]c(-c3ccc([S+]([O-])c4ccc(Cl)cc4)cc3)nc2c1 Homo sapiens CHEMBL874429 single protein format
CHEMBL3919738 OBDepict CH 3 O S N N H O H 2 N IC50 = 13.0 nM 375.45 COc1cccc(Sc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL3971801 OBDepict CH 3 O N N H O NH 2 IC50 = 13.0 nM 369.42 CCc1ccc(C(=O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL3894750 OBDepict Br O N N H O NH 2 IC50 = 14.0 nM 408.25 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Br)cc4)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL3894138 OBDepict NH 2 O N N H O O O IC50 = 14.0 nM 373.37 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc5c(c4)OCO5)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL1947252 OBDepict CH 3 O O CH 3 N H O N H NH O N NH 2 IC50 = 14.0 nM 381.39 COc1ccc(-c2cc3c([nH]2)C(=O)NCC/C3=C2/NC(N)=NC2=O)cc1OC Homo sapiens CHEMBL1947437 single protein format
CHEMBL3931377 OBDepict Cl Cl OH N N H O NH 2 IC50 = 14.0 nM 412.28 NC(=O)c1ccc2[nH]c(-c3ccc(C(O)c4ccc(Cl)cc4Cl)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL1947251 OBDepict CH 3 O N H O N H NH O N NH 2 IC50 = 14.0 nM 351.37 COc1ccc(-c2cc3c([nH]2)C(=O)NCC/C3=C2/NC(N)=NC2=O)cc1 Homo sapiens CHEMBL1947437 single protein format
CHEMBL1650130 OBDepict H N N OH N N HN H N H H HO H 3 C CH 3 IC50 = 14.0 nM 430.51 CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(-c2cc(-c3cn[nH]c3)ccc2O)nc2ccccc12 Homo sapiens CHEMBL1663817 single protein format
CHEMBL3942502 OBDepict NH 2 O N N H O F F F IC50 = 14.0 nM 397.36 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL3928245 OBDepict Cl N O N N H O H 2 N IC50 = 14.0 nM 460.97 NC(=O)c1ccc2[nH]c(-c3ccc(OC4CCCN(Cc5ccc(Cl)cc5)C4)cc3)nc2c1 Homo sapiens CHEMBL3882743 single protein format
CHEMBL3970129 OBDepict _ O + N O NH S O O N N H O NH 2 IC50 = 14.0 nM 437.44 NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL195846 OBDepict Cl NH S O O N N H O NH 2 IC50 = 14.0 nM 426.89 NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3)nc2c1 Homo sapiens CHEMBL874429 single protein format
CHEMBL248935 OBDepict Cl N O N N H O NH 2 IC50 = 14.0 nM 474.99 NC(=O)c1ccc2[nH]c(-c3ccc(OCC4CCCN(Cc5ccc(Cl)cc5)C4)cc3)nc2c1 Homo sapiens CHEMBL942788 single protein format
CHEMBL4063921 OBDepict H 3 C N H O N N H O N + N N O _ O H 3 C IC50 = 14.9 nM 468.47 CNC(=O)c1ccc2[nH]c(-c3ccc(Oc4c([N+](=O)[O-])c(C)nn4-c4ccccc4)cc3)nc2c1 Homo sapiens CHEMBL4034965 single protein format
CHEMBL3970700 OBDepict CH 3 O O CH 3 S N N H O H 2 N IC50 = 15.0 nM 405.48 COc1ccc(Sc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1OC Homo sapiens CHEMBL3882739 single protein format
CHEMBL179583 OBDepict Cl O N N H O NH 2 IC50 = 15.0 nM 363.8 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Cl)cc4)cc3)nc2c1 Homo sapiens CHEMBL874429 single protein format
CHEMBL3933192 OBDepict Br NH S O O N N H O NH 2 IC50 = 15.0 nM 471.34 NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL4167715 OBDepict N O N N SH N N H O OH IC50 = 15.35 nM 465.49 N#Cc1c(Oc2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)nc(S)nc1-c1ccccc1 Homo sapiens CHEMBL4148177 single protein format
CHEMBL3889698 OBDepict NH 2 O N N H S NH O O IC50 = 16.0 nM 446.53 NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC4CCCc5ccccc54)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL3904466 OBDepict NH 2 O N N H O H 3 C F IC50 = 16.0 nM 361.38 Cc1cc(Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)ccc1F Homo sapiens CHEMBL3882739 single protein format
CHEMBL3971843 OBDepict Cl Cl NH S O O N N H O NH 2 IC50 = 16.0 nM 461.33 NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL3968271 OBDepict H 3 C OH N N H O H 2 N IC50 = 16.0 nM 357.41 Cc1ccc(C(O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL535 OBDepict H 3 C N CH 3 HN O H 3 C CH 3 N H O N H F IC50 = 16.84 nM 398.48 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C Homo sapiens CHEMBL1913731 single protein format
CHEMBL178972 OBDepict Cl O N N H O NH 2 IC50 = 17.0 nM 363.8 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4cccc(Cl)c4)cc3)nc2c1 Homo sapiens CHEMBL874429 single protein format
CHEMBL3939843 OBDepict O CH 3 CH 3 N N H O H 2 N IC50 = 17.0 nM 369.42 Cc1ccc(C(=O)c2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1C Homo sapiens CHEMBL3882742 single protein format
CHEMBL3923429 OBDepict NH 2 O N N H O IC50 = 17.0 nM 383.45 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc5c(c4)CCCC5)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL4085496 OBDepict CH 3 HN H 3 C O N N H O N + N N O _ O CH 3 IC50 = 17.9 nM 496.53 Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc(C(=O)NC(C)C)ccc4[nH]3)cc2)c1[N+](=O)[O-] Homo sapiens CHEMBL4034965 single protein format
CHEMBL3941646 OBDepict NH 2 O N N H S N O O IC50 = 18.0 nM 418.48 NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL3940297 OBDepict Cl Cl O N N H O NH 2 IC50 = 18.0 nM 410.26 NC(=O)c1ccc2[nH]c(-c3ccc(C(=O)c4ccc(Cl)cc4Cl)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL195320 OBDepict NH 2 O N N H S NH O O IC50 = 18.0 nM 392.44 NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)nc2c1 Homo sapiens CHEMBL874429 single protein format
CHEMBL3906984 OBDepict Cl O CH 3 N N H O H 2 N IC50 = 18.0 nM 377.83 Cc1ccc(Cl)cc1Oc1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL3964555 OBDepict NH 2 O N N H O F F F IC50 = 19.0 nM 397.36 NC(=O)c1ccc2[nH]c(-c3ccc(Oc4cccc(C(F)(F)F)c4)cc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL3925035 OBDepict NH 2 O N N H S NH O O S IC50 = 19.0 nM 412.5 NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NCc4cccs4)cc3)nc2c1 Homo sapiens CHEMBL3882742 single protein format
CHEMBL1947250 OBDepict NH 2 N NH O N H N O H IC50 = 20.0 nM 321.34 NC1=NC(=O)/C(=C2CCNC(=O)c3[nH]c(-c4ccccc4)cc32)N1 Homo sapiens CHEMBL1947437 single protein format
CHEMBL3916678 OBDepict Cl S N N N H O NH 2 IC50 = 21.0 nM 380.86 NC(=O)c1ccc2[nH]c(-c3ccc(Sc4ccc(Cl)cc4)nc3)nc2c1 Homo sapiens CHEMBL3882739 single protein format
CHEMBL1650117 OBDepict F OH N N N H H N H H HO CH 3 CH 3 IC50 = 21.0 nM 382.44 CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(-c2cc(F)ccc2O)nc2ccccc12 Homo sapiens CHEMBL1663817 single protein format
CHEMBL176164 OBDepict CH 3 O O N N H O H 2 N IC50 = 23.0 nM 359.39 COc1ccc(Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 Homo sapiens CHEMBL874429 single protein format