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P49840 | GSK3A_HUMAN | Glycogen synthase kinase-3 alpha (GSK3A)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL3652543 OBDepict F N N N H N H N CH 3 N IC50 = 0.3 nM 340.41 Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(C2CCCCCC2)n1 Homo sapiens CHEMBL3705569 organism-based format
CHEMBL3652545 OBDepict F N N NH N H N CH 3 N IC50 = 0.5 nM 326.38 Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(C2CCCCC2)n1 Homo sapiens CHEMBL3705569 organism-based format
CHEMBL4856177 OBDepict H 3 C N N N N H N N N N CH 3 H 3 C CH 3 IC50 = 0.6 nM 492.63 CC(C)c1c2cc(-c3ccnc(Nc4ccc5c(N6CCN(C)CC6)ccnc5c4)n3)ccc2nn1C Homo sapiens CHEMBL4830409 single protein format
CHEMBL3661033 OBDepict F N N NH N H N CH 3 H 3 C IC50 = 0.6 nM 333.37 Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(-c2ccccc2)c1C Homo sapiens CHEMBL3705327 single protein format
CHEMBL1080901 OBDepict Cl Cl N NH N N N H NH N H 2 N + N O _ O IC50 = 0.65 nM 486.32 Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-] Homo sapiens CHEMBL1249828 single protein format
CHEMBL3652540 OBDepict F N N NH N H N CH 3 N CH 3 IC50 = 0.7 nM 340.41 Cc1nc(C2CCCCC2)nc(Nc2n[nH]c3ncc(F)cc23)c1C Homo sapiens CHEMBL3705569 organism-based format
CHEMBL260417 OBDepict O N H N N H N Br HO IC50 = 0.8 nM 373.21 O=C(Nc1n[nH]c2nc(-c3ccc(O)cc3)c(Br)cc12)C1CC1 Homo sapiens CHEMBL686309 single protein format
CHEMBL3652541 OBDepict F N N HN N H N N CH 3 F F IC50 = 1.0 nM 362.36 Cc1nc(Nc2n[nH]c3ncc(F)cc23)cc(C2CCC(F)(F)CC2)n1 Homo sapiens CHEMBL3705569 organism-based format
CHEMBL261129 OBDepict CH 3 N N H O N N H N Br HO IC50 = 1.0 nM 430.31 CN1CCC(C(=O)Nc2n[nH]c3nc(-c4ccc(O)cc4)c(Br)cc23)CC1 Homo sapiens CHEMBL686308 single protein format
CHEMBL260664 OBDepict O N H N N H N Cl HO IC50 = 1.0 nM 328.76 O=C(Nc1n[nH]c2nc(-c3ccc(O)cc3)c(Cl)cc12)C1CC1 Homo sapiens CHEMBL686308 single protein format
CHEMBL3652548 OBDepict F N N NH N H N CH 3 N H H CH 3 IC50 = 1.0 nM 340.41 Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc([C@H]2CCCC[C@@H]2C)n1 Homo sapiens CHEMBL3705569 organism-based format
CHEMBL362558 OBDepict F N N N O O N H O N N IC50 = 1.5 nM 512.55 O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2 Homo sapiens CHEMBL3533962 single protein format
CHEMBL3652544 OBDepict F N N N H N H N CH 3 N IC50 = 2.0 nM 312.35 Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(C2CCCC2)n1 Homo sapiens CHEMBL3705569 organism-based format
CHEMBL2391102 OBDepict N S N O N N HN O H 3 C IC50 = 2.0 nM 427.49 CC(=O)Nc1cc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)ccn1 Homo sapiens CHEMBL2393655 single protein format
CHEMBL3652549 OBDepict F N N N H H N CH 3 N IC50 = 2.0 nM 377.47 Cc1cc(Nc2c[nH]c3ncc(F)cc23)nc(C23CC4CC(CC(C4)C2)C3)n1 Homo sapiens CHEMBL3705569 organism-based format
CHEMBL2064535 OBDepict N F S N O N O O IC50 = 2.0 nM 445.48 N#Cc1cc(F)ccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 Homo sapiens CHEMBL2066820 single protein format
CHEMBL2064532 OBDepict N F S N O N O O IC50 = 2.0 nM 431.45 N#Cc1cc(F)ccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 Homo sapiens CHEMBL2066820 single protein format
CHEMBL3661031 OBDepict CH 3 N N H N Cl N H N F IC50 = 2.0 nM 353.79 Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(-c2ccccc2Cl)c1 Homo sapiens CHEMBL3705327 single protein format
CHEMBL3652551 OBDepict F N NH N H N CH 3 N IC50 = 2.0 nM 325.39 Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(C2CCCCC2)n1 Homo sapiens CHEMBL3705569 organism-based format
CHEMBL3661029 OBDepict F N N N H N H N F F F Cl IC50 = 3.0 nM 407.76 Fc1cnc2[nH]nc(Nc3cc(C(F)(F)F)cc(-c4ccccc4Cl)n3)c2c1 Homo sapiens CHEMBL3705327 single protein format
CHEMBL3652547 OBDepict F N N NH N H N CH 3 N O IC50 = 3.0 nM 328.35 Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(C2CCOCC2)n1 Homo sapiens CHEMBL3705569 organism-based format
CHEMBL3652550 OBDepict F N N NH N H N N HO CH 3 CH 3 IC50 = 3.0 nM 370.43 CC(C)(O)c1cc(Nc2n[nH]c3ncc(F)cc23)nc(C2CCCCC2)n1 Homo sapiens CHEMBL3705569 organism-based format
CHEMBL2391122 OBDepict _ O + N O S N O N O O IC50 = 3.0 nM 433.45 O=[N+]([O-])c1ccccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 Homo sapiens CHEMBL2393655 single protein format
CHEMBL2391121 OBDepict N S N O N O O IC50 = 4.0 nM 413.46 N#Cc1cccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)c1 Homo sapiens CHEMBL2393655 single protein format
CHEMBL50894 OBDepict O HN N H + N O _ O IC50 = 4.0 nM 293.28 O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1 Homo sapiens CHEMBL1249828 single protein format
CHEMBL4172418 OBDepict CH 3 N H O N N H N N IC50 = 4.0 nM 295.35 CCCCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)cc12 Homo sapiens CHEMBL4146566 single protein format
CHEMBL288143 OBDepict H 3 C N H O N N H N N IC50 = 4.0 nM 281.32 CCCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)cc12 Homo sapiens CHEMBL686309 single protein format
CHEMBL2391129 OBDepict _ O + N O S N O N O O IC50 = 4.0 nM 447.47 O=[N+]([O-])c1ccccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 Homo sapiens CHEMBL2393655 single protein format
CHEMBL407981 OBDepict CH 3 N N N H O N N H N Br HO IC50 = 4.0 nM 487.4 CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(-c4ccc(O)cc4)c(Br)cc23)CC1 Homo sapiens CHEMBL686309 single protein format
CHEMBL402902 OBDepict _ O + N O N N N H NH HO O OH IC50 = 4.5 nM 425.45 O=C(O)c1ccc(Nc2ncc([N+](=O)[O-])c(NC34CC5CC(CC(O)(C5)C3)C4)n2)cc1 Homo sapiens CHEMBL928211 single protein format
CHEMBL2391118 OBDepict CH 3 O N S N O N O O IC50 = 5.0 nM 443.48 COc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)c(C#N)c1 Homo sapiens CHEMBL2393655 single protein format
CHEMBL260416 OBDepict O N H N N H N Br HO IC50 = 5.0 nM 373.21 O=C(Nc1n[nH]c2nc(-c3ccc(O)c(Br)c3)ccc12)C1CC1 Homo sapiens CHEMBL686309 single protein format
CHEMBL409450 OBDepict HO N N H O HN Br IC50 = 5.0 nM 356.18 O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=NO Homo sapiens CHEMBL937185 single protein format
CHEMBL259271 OBDepict CH 3 N N N H O N N H N N IC50 = 5.0 nM 407.52 CCN1CCN(CCCCC(=O)Nc2n[nH]c3nnc(-c4ccccc4)cc23)CC1 Homo sapiens CHEMBL686307 single protein format
CHEMBL2064534 OBDepict N S N O N O O IC50 < 5.0 nM 427.49 N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 Homo sapiens CHEMBL2066820 single protein format
CHEMBL2391125 OBDepict H 3 C O N S N O N O O IC50 = 5.0 nM 457.51 COc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)c(C#N)c1 Homo sapiens CHEMBL2393655 single protein format
CHEMBL261518 OBDepict O N H N N N H N N O IC50 = 5.0 nM 366.43 O=C(CCCN1CCOCC1)Nc1n[nH]c2nnc(-c3ccccc3)cc12 Homo sapiens CHEMBL686307 single protein format
CHEMBL2064533 OBDepict N S N O N O O IC50 < 5.0 nM 413.46 N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 Homo sapiens CHEMBL2066820 single protein format
CHEMBL41783 OBDepict CH 3 N H 3 C N H O N N H N N F F IC50 = 5.0 nM 360.37 CN(C)CCCC(=O)Nc1n[nH]c2nnc(-c3cccc(F)c3F)cc12 Homo sapiens CHEMBL686307 single protein format
CHEMBL258483 OBDepict O N H N N H N IC50 = 5.0 nM 306.37 O=C(Nc1n[nH]c2ncc(-c3ccccc3)cc12)C1CCCC1 Homo sapiens CHEMBL686306 single protein format
CHEMBL2064515 OBDepict N S N O N O O IC50 = 6.0 nM 413.46 N#Cc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)cc1 Homo sapiens CHEMBL2066820 single protein format
CHEMBL260662 OBDepict O HN N N H N CH 3 OH IC50 = 6.0 nM 308.34 Cc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccc(O)cc1 Homo sapiens CHEMBL686308 single protein format
CHEMBL303926 OBDepict F N N H N N N N IC50 = 6.2 nM 332.34 Fc1ccc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)cc1 Homo sapiens CHEMBL4146567 single protein format
CHEMBL261549 OBDepict H 3 C N H O N N H N IC50 = 7.0 nM 280.33 CCCC(=O)Nc1n[nH]c2cnc(-c3ccccc3)cc12 Homo sapiens CHEMBL686307 single protein format
CHEMBL2391119 OBDepict CH 3 O S N O N O O IC50 = 7.0 nM 418.47 COc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)cc1 Homo sapiens CHEMBL2393655 single protein format
CHEMBL264161 OBDepict H 3 C N H O N N H N F F IC50 = 7.0 nM 316.31 CCCC(=O)Nc1n[nH]c2ncc(-c3cccc(F)c3F)cc12 Homo sapiens CHEMBL686307 single protein format
CHEMBL259838 OBDepict O N H N N H N Cl HO IC50 = 7.0 nM 328.76 O=C(Nc1n[nH]c2nc(-c3ccc(O)c(Cl)c3)ccc12)C1CC1 Homo sapiens CHEMBL686309 single protein format
CHEMBL408564 OBDepict O N H N N H N Br O IC50 = 7.0 nM 347.17 O=C(Nc1n[nH]c2nc(-c3ccco3)c(Br)cc12)C1CC1 Homo sapiens CHEMBL686309 single protein format
CHEMBL3185148 OBDepict Cl Cl N N HN N N HN N NH 2 + N O _ O IC50 = 7.0 nM 486.32 Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-] Homo sapiens CHEMBL4022686 single protein format
CHEMBL409738 OBDepict H 3 C N N N H O N N H N N IC50 = 7.0 nM 393.5 CCN1CCN(CCCC(=O)Nc2n[nH]c3nnc(-c4ccccc4)cc23)CC1 Homo sapiens CHEMBL686307 single protein format
CHEMBL407980 OBDepict O N H N N H N Br S IC50 = 7.0 nM 391.29 O=C(Nc1n[nH]c2nc(-c3cccs3)c(Br)cc12)C1CCCC1 Homo sapiens CHEMBL686309 single protein format
CHEMBL2386747 OBDepict CH 3 O HN N S N N H N Cl Cl IC50 = 7.44 nM 404.28 COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1 Homo sapiens CHEMBL4719520 single protein format
CHEMBL405145 OBDepict O N H N N H N HO IC50 = 8.0 nM 294.31 O=C(Nc1n[nH]c2nc(-c3ccc(O)cc3)ccc12)C1CC1 Homo sapiens CHEMBL686309 single protein format
CHEMBL260345 OBDepict O N H N N H N HO HO IC50 = 8.0 nM 310.31 O=C(Nc1n[nH]c2nc(-c3ccc(O)c(O)c3)ccc12)C1CC1 Homo sapiens CHEMBL686308 single protein format
CHEMBL3582401 OBDepict Cl Cl O N H O N H H H Ki = 9.0 nM 370.22 [11CH3]n1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21 Homo sapiens CHEMBL3584795 cell-based format
CHEMBL2391130 OBDepict N S N O N O O IC50 = 9.0 nM 427.49 N#Cc1cccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)c1 Homo sapiens CHEMBL2393655 single protein format
CHEMBL402541 OBDepict OH O O HN N N N N N IC50 = 9.0 nM 362.35 O=C(O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Homo sapiens CHEMBL928211 single protein format
CHEMBL2064531 OBDepict S N O N O O IC50 = 9.0 nM 388.45 c1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)cc1 Homo sapiens CHEMBL2066820 single protein format
CHEMBL406125 OBDepict CH 3 N N H O N N H N N IC50 = 9.0 nM 336.4 CN1CCC(C(=O)Nc2n[nH]c3nnc(-c4ccccc4)cc23)CC1 Homo sapiens CHEMBL686307 single protein format
CHEMBL3894571 OBDepict CH 3 O F N H N N S N O NH CH 3 IC50 = 9.11 nM 383.41 COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1 Homo sapiens CHEMBL4719520 single protein format
CHEMBL4640019 OBDepict OH N N N H N H O O IC50 < 10.0 nM 366.42 O=C(NCC1CCOCC1)c1n[nH]c2ccc(-c3cncc(CO)c3)cc12 Homo sapiens CHEMBL4615951 single protein format
CHEMBL3661030 OBDepict F N N NH N H N CH 3 H 3 C Cl IC50 = 10.0 nM 367.82 Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(-c2ccccc2Cl)c1C Homo sapiens CHEMBL3705327 single protein format
CHEMBL412142 OBDepict N N HN N H N N N N Cl H CH 3 Cl IC50 = 10.0 nM 465.35 Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1 Homo sapiens CHEMBL1249828 single protein format
CHEMBL1092754 OBDepict OH N H O N N CH 3 O O OH IC50 = 10.6 nM 455.47 Cn1cc(/C=C2Oc3cccc(O)c3C2=O)c2c(-c3ccc(C(=O)NCCO)cc3)ccnc21 Homo sapiens CHEMBL1107915 single protein format
CHEMBL261441 OBDepict O N H N N N H N N IC50 = 11.0 nM 350.43 O=C(CCCN1CCCC1)Nc1n[nH]c2nnc(-c3ccccc3)cc12 Homo sapiens CHEMBL686307 single protein format
CHEMBL407002 OBDepict H 3 C N H O N N H N N IC50 = 11.0 nM 281.32 CCCC(=O)Nc1n[nH]c2ncc(-c3cccnc3)cc12 Homo sapiens CHEMBL686306 single protein format
CHEMBL2064520 OBDepict CH 3 O O S N O N O O IC50 = 12.0 nM 384.41 COC(=O)c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 Homo sapiens CHEMBL2066820 single protein format
CHEMBL4747992 OBDepict O HN N S N O O H 2 N N F IC50 = 12.0 nM 537.66 NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCCCC1CCN(Cc2ccc(F)cc2)CC1 Homo sapiens CHEMBL4688576 single protein format
CHEMBL410926 OBDepict CH 3 N N H O N N H N HO IC50 = 12.0 nM 351.41 CN1CCC(C(=O)Nc2n[nH]c3nc(-c4ccc(O)cc4)ccc23)CC1 Homo sapiens CHEMBL686308 single protein format
CHEMBL408019 OBDepict O N H N N H N HO IC50 = 12.0 nM 294.31 O=C(Nc1n[nH]c2nc(-c3cccc(O)c3)ccc12)C1CC1 Homo sapiens CHEMBL686309 single protein format
CHEMBL4777349 OBDepict Cl N N O O HN Ki = 13.0 nM 381.86 O=C1NCCC12CCN(c1c(Cl)cncc1-c1cc3ccccc3o1)CC2 Homo sapiens CHEMBL4737726 single protein format
CHEMBL255735 OBDepict OH O HN N N N N N IC50 = 13.0 nM 358.36 O=C(O)/C=Cc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Homo sapiens CHEMBL928211 single protein format
CHEMBL3673985 OBDepict H 3 C O HN O N N H F F F H 3 C H 3 C IC50 = 13.0 nM 391.39 COc1ccccc1C1C2=C(CC(C)(C)CC2=O)Nc2n[nH]c(C(F)(F)F)c21 Homo sapiens CHEMBL3706098 assay format
CHEMBL156277 OBDepict CH 3 O O N H NH O Cl IC50 = 14.0 nM 328.76 COc1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O Homo sapiens CHEMBL4839432 single protein format
CHEMBL317657 OBDepict O N H N N N H N Br O IC50 = 14.0 nM 466.34 O=C(Nc1n[nH]c2nc(-c3ccco3)c(Br)cc12)C1CCN(Cc2ccccc2)C1 Homo sapiens CHEMBL686309 single protein format
CHEMBL2064516 OBDepict N S N O N O O IC50 = 15.0 nM 337.36 N#Cc1cccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 Homo sapiens CHEMBL2066820 single protein format
CHEMBL260163 OBDepict O N H N N H HO IC50 = 15.0 nM 293.33 O=C(Nc1n[nH]c2cc(-c3ccc(O)cc3)ccc12)C1CC1 Homo sapiens CHEMBL686309 single protein format
CHEMBL2064539 OBDepict CH 3 O H O O N O N S N IC50 = 15.0 nM 471.54 COC[C@H]1COc2ccc(-c3nnc(SCc4ccc(-c5ccccc5C#N)cc4)o3)cc2O1 Homo sapiens CHEMBL2066820 single protein format
CHEMBL2391128 OBDepict _ O + N O S N O N O O IC50 = 15.0 nM 447.47 O=[N+]([O-])c1cccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)c1 Homo sapiens CHEMBL2393655 single protein format
CHEMBL2064517 OBDepict N S N O N O O IC50 = 15.0 nM 337.36 N#Cc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 Homo sapiens CHEMBL2066820 single protein format
CHEMBL2391120 OBDepict _ O + N O S N O N O O IC50 = 15.0 nM 433.45 O=[N+]([O-])c1cccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)c1 Homo sapiens CHEMBL2393655 single protein format
CHEMBL406644 OBDepict O N H N N H N Br N S IC50 = 16.0 nM 392.28 O=C(Nc1n[nH]c2nc(-c3nccs3)c(Br)cc12)C1CCCC1 Homo sapiens CHEMBL686309 single protein format
CHEMBL2391101 OBDepict N S N O N N N H O CH 3 IC50 = 17.0 nM 351.39 CC(=O)Nc1cc(-c2nnc(SCc3cccc(C#N)c3)o2)ccn1 Homo sapiens CHEMBL2393655 single protein format
CHEMBL407373 OBDepict H 3 C N H O N N H N F IC50 = 18.0 nM 298.32 CCCC(=O)Nc1n[nH]c2ncc(-c3ccccc3F)cc12 Homo sapiens CHEMBL686306 single protein format
CHEMBL101747 OBDepict CH 3 N N H O N N H N Br S IC50 = 18.0 nM 448.39 CCN1CCC(CC(=O)Nc2n[nH]c3nc(-c4cccs4)c(Br)cc23)CC1 Homo sapiens CHEMBL686309 single protein format
CHEMBL2391126 OBDepict CH 3 O S N O N O O IC50 = 19.0 nM 432.5 COc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)cc1 Homo sapiens CHEMBL2393655 single protein format
CHEMBL4875188 OBDepict H 3 C O O N H HN O N IC50 = 19.0 nM 319.32 COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O Homo sapiens CHEMBL4839432 single protein format
CHEMBL261596 OBDepict O N H CH 3 H 3 C N N H N IC50 = 19.0 nM 280.33 CC(C)C(=O)Nc1n[nH]c2ncc(-c3ccccc3)cc12 Homo sapiens CHEMBL686306 single protein format
CHEMBL2064536 OBDepict N S N O N N IC50 = 19.0 nM 370.44 N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccncc3)o2)cc1 Homo sapiens CHEMBL2066820 single protein format
CHEMBL404565 OBDepict OH O HN N N N N N IC50 = 20.0 nM 360.38 O=C(O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Homo sapiens CHEMBL928211 single protein format
CHEMBL2391100 OBDepict H 3 C N H O N N O N S IC50 = 20.0 nM 326.38 CC(=O)Nc1cc(-c2nnc(SCc3ccccc3)o2)ccn1 Homo sapiens CHEMBL2393655 single protein format
CHEMBL263907 OBDepict H 3 C N H O N N H N F IC50 = 20.0 nM 298.32 CCCC(=O)Nc1n[nH]c2ncc(-c3cccc(F)c3)cc12 Homo sapiens CHEMBL686306 single protein format
CHEMBL2205426 OBDepict O O N H N H CH 3 H 3 C CH 3 N N N H N Ki = 21.0 nM 414.47 CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O Homo sapiens CHEMBL2210502 single protein format
CHEMBL407730 OBDepict H 3 C N N N H O N N H N OH IC50 = 21.0 nM 408.51 CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(-c4cccc(O)c4)ccc23)CC1 Homo sapiens CHEMBL686308 single protein format
CHEMBL1242556 OBDepict H 3 C N CH 3 N H O N N H N N IC50 = 22.0 nM 310.36 CN(C)CCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)cc12 Homo sapiens CHEMBL1249828 single protein format
CHEMBL259744 OBDepict H 3 C N CH 3 N H O N N H N N IC50 = 22.0 nM 324.39 CN(C)CCCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)cc12 Homo sapiens CHEMBL686307 single protein format
CHEMBL253956 OBDepict O O N H N N N N N IC50 = 23.0 nM 344.33 O=C1OC(Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc21 Homo sapiens CHEMBL928211 single protein format
CHEMBL427909 OBDepict O N H N N H N HO IC50 = 24.0 nM 370.41 O=C(Nc1n[nH]c2nc(-c3ccc(O)cc3)c(-c3ccccc3)cc12)C1CC1 Homo sapiens CHEMBL686309 single protein format
CHEMBL156379 OBDepict O N H NH O + N Cl O HO O _ O IC50 = 26.0 nM 387.74 O=C1NC(=O)C(c2cccc([N+](=O)[O-])c2)=C1Nc1ccc(Cl)c(C(=O)O)c1 Homo sapiens CHEMBL686310 single protein format
CHEMBL2391133 OBDepict _ O + N O S N O N N IC50 = 27.0 nM 390.42 O=[N+]([O-])c1ccccc1-c1ccc(CSc2nnc(-c3ccncc3)o2)cc1 Homo sapiens CHEMBL2393655 single protein format