HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q96PY6 | NEK1_HUMAN | Serine/threonine-protein kinase Nek1 (NEK1)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

download pymol session



[ 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
CHEMBL4859660 OBDepict NH 2 N F + N O NH O _ O IC50 = -34000.0 nM 378.36 Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804443 cell-based format
CHEMBL4860979 OBDepict F S N O O CH 3 N H 2 N O N H IC50 = -14100.0 nM 466.54 CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 Homo sapiens CHEMBL4804443 cell-based format
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -9900.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804443 cell-based format
CHEMBL3667261 OBDepict OH N H S O NH 2 CH 3 H 3 C IC50 = 0.43 nM 350.44 CC(C)(N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667249 OBDepict NH 2 F OH N H S O IC50 = 0.5 nM 354.41 NCCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667248 OBDepict OH N H S O NH 2 CH 3 H IC50 = 0.54 nM 336.42 C[C@@H](N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667234 OBDepict H 2 N N F OH N H S O IC50 = 0.57 nM 437.54 NCC1CCN(Cc2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2F)CC1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667204 OBDepict NH 2 OH N H S O IC50 = 0.63 nM 322.39 NCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672289 OBDepict NH 2 CH 3 H OH N H S O IC50 = 0.64 nM 350.44 C[C@@H](CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667250 OBDepict NH 2 CH 3 H 3 C OH N H S O IC50 = 0.67 nM 364.47 CC(C)(CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667224 OBDepict OH N H S O NH 2 CH 3 IC50 = 0.73 nM 336.42 CC(N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672360 OBDepict CH 3 NH 2 OH N H S O IC50 = 0.74 nM 364.47 CCC(CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667246 OBDepict NH 2 OH N H S O IC50 = 0.74 nM 350.44 NCCCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667241 OBDepict NH 2 S OH N H S O IC50 = 0.78 nM 328.42 NCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)s1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667207 OBDepict OH N H NH S O IC50 = 0.78 nM 298.37 O=c1[nH]c2ccc(O)c(C3=CCNCC3)c2c2ccsc12 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667233 OBDepict OH N H S O NH 2 CH 3 H IC50 = 0.81 nM 336.42 C[C@H](N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672235 OBDepict CH 3 NH 2 OH N H S O IC50 = 0.82 nM 350.44 CCC(N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672269 OBDepict CH 3 H 2 N H OH N H S O IC50 = 0.88 nM 350.44 CC[C@H](N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667245 OBDepict CH 3 N CH 3 CH 3 H OH N H S O IC50 = 0.88 nM 364.47 C[C@H](c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N(C)C Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667219 OBDepict CH 3 HN OH N H S O IC50 = 0.9 nM 336.42 CNCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672246 OBDepict OH N H F S O NH 2 CH 3 IC50 = 0.92 nM 354.41 CC(N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667251 OBDepict OH N F OH N H S O IC50 = 0.97 nM 410.47 O=c1[nH]c2ccc(O)c(-c3ccc(CN4CCC(O)C4)c(F)c3)c2c2ccsc12 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672339 OBDepict NH 2 CH 3 H 3 C F OH N H S O IC50 = 1.0 nM 382.46 CC(C)(CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672259 OBDepict CH 3 N H H 3 C H OH N H S O IC50 = 1.1 nM 350.44 CN[C@@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667217 OBDepict NH 2 OH N H S O IC50 = 1.2 nM 336.42 NCCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672240 OBDepict NH 2 OH N H S O IC50 = 1.2 nM 348.43 NC1Cc2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2C1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672263 OBDepict CH 3 H 2 N OH N H S O IC50 = 1.3 nM 350.44 CC(N)Cc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672266 OBDepict NH 2 CH 3 OH N H S O IC50 = 1.3 nM 350.44 CC(CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672276 OBDepict CH 3 H 2 N H OH N H S O IC50 = 1.3 nM 350.44 CC[C@@H](N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672253 OBDepict CH 3 N H H 3 C H OH N H S O IC50 = 1.3 nM 350.44 CN[C@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672301 OBDepict CH 3 N H H 3 C H OH N H S O IC50 = 1.3 nM 364.47 CNC[C@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672283 OBDepict CH 3 NH H CH 3 OH N H S O IC50 = 1.3 nM 364.47 CC[C@H](NC)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672292 OBDepict NH 2 CH 3 H OH N H S O IC50 = 1.3 nM 350.44 C[C@H](CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672274 OBDepict CH 3 N H H CH 3 OH N H S O IC50 = 1.4 nM 378.5 CCN[C@H](CC)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672329 OBDepict NH 2 CH 3 H 3 C OH N H S O IC50 = 1.4 nM 378.5 CC(C)C(CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672297 OBDepict NH 2 CH 3 F OH N H S O IC50 = 1.5 nM 368.43 CC(CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667221 OBDepict CH 3 N CH 3 CH 3 OH N H S O IC50 = 1.6 nM 364.47 CC(c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N(C)C Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672355 OBDepict H 2 N HO N H S O IC50 = 1.7 nM 376.48 NCC1(c2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2)CCC1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672310 OBDepict CH 3 NH 2 CH 3 OH N H S O IC50 = 1.8 nM 392.52 CCC(CC)(CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667203 OBDepict OH N H S O S O O NH 2 IC50 = 1.8 nM 372.43 NS(=O)(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672242 OBDepict NH 2 HO N H S O IC50 = 1.9 nM 362.45 NCC1(c2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2)CC1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672238 OBDepict CH 3 N CH 3 H 3 C OH N H S O IC50 = 1.9 nM 378.5 CCC(c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N(C)C Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667263 OBDepict CH 3 N CH 3 F OH N H S O IC50 = 1.9 nM 382.46 CN(C)CCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672243 OBDepict CH 3 N CH 3 CH 3 F OH N H S O IC50 = 1.9 nM 382.46 CC(c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F)N(C)C Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672244 OBDepict HO N H S O N H IC50 = 2.0 nM 348.43 O=c1[nH]c2ccc(O)c(-c3ccc4c(c3)CNCC4)c2c2ccsc12 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667242 OBDepict CH 3 HN OH N H S O IC50 = 2.0 nM 350.44 CCNCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672290 OBDepict NH 2 H 3 C H O CH 3 N H S O IC50 = 2.0 nM 364.47 COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@@H](C)CN)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667259 OBDepict OH N H S O OH CH 3 IC50 = 2.0 nM 337.4 CC(O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672275 OBDepict CH 3 N H CH 3 CH 3 OH N H S O IC50 = 2.2 nM 378.5 CC[C@@H](c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N(C)C Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667229 OBDepict OH NH 2 OH N H S O IC50 = 2.3 nM 324.36 Nc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1O Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672285 OBDepict CH 3 N H CH 3 CH 3 OH N H S O IC50 = 2.5 nM 378.5 CC[C@H](c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N(C)C Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672302 OBDepict CH 3 N CH 3 CH 3 H OH N H S O IC50 = 2.5 nM 378.5 C[C@@H](CN(C)C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667236 OBDepict NH 2 OH N F H S O IC50 = 2.5 nM 340.38 NCc1ccc(-c2c(O)cc(F)c3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672255 OBDepict CH 3 N H H 3 C H O CH 3 N H S O IC50 = 2.5 nM 364.47 CN[C@@H](C)c1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667205 OBDepict HO N H S O HN S O O CH 3 IC50 = 2.6 nM 386.45 CS(=O)(=O)Nc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672295 OBDepict H 2 N CH 3 H HO N CH 3 H S O IC50 = 2.6 nM 364.47 Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1sccc12 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667260 OBDepict CH 3 N H OH N H S O IC50 = 2.8 nM 404.54 CC(NC1CCCC1)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672307 OBDepict CH 3 N H H 3 C H OH N H S O IC50 = 2.8 nM 364.47 CNC[C@@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667258 OBDepict CH 3 N CH 3 CH 3 H 3 C OH N H S O IC50 = 2.8 nM 392.52 CN(C)CC(C)(C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667223 OBDepict OH N H S O N CH 3 IC50 = 2.8 nM 390.51 CC(c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N1CCCC1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672270 OBDepict CH 3 H 2 N H O CH 3 N H S O IC50 = 2.9 nM 364.47 CC[C@H](N)c1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672234 OBDepict CH 3 N CH 3 CH 3 H OH N H S O IC50 = 2.9 nM 364.47 C[C@@H](c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N(C)C Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667235 OBDepict OH N H CH 3 S O NH S O O H 3 C IC50 = 3.0 nM 400.48 Cc1cc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)ccc1NS(C)(=O)=O Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672303 OBDepict CH 3 N H H 3 C H O CH 3 N H S O IC50 = 3.0 nM 378.5 CNC[C@H](C)c1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672336 OBDepict H 2 N Cl HO N CH 3 H S O IC50 = 3.0 nM 384.89 Cc1cc(O)c(-c2ccc(CCN)c(Cl)c2)c2c1[nH]c(=O)c1sccc12 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672299 OBDepict NH 2 CH 3 F O CH 3 N H S O IC50 = 3.0 nM 382.46 COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(C(C)CN)c(F)c1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667256 OBDepict HO N H S O N H H 3 C H S O O CH 3 IC50 = 3.2 nM 414.51 C[C@@H](NS(C)(=O)=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672248 OBDepict NH 2 CH 3 O CH 3 N H S O IC50 = 3.2 nM 364.47 COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(C(C)CN)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667252 OBDepict N OH N H S O IC50 = 3.2 nM 346.41 N#CCCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672267 OBDepict CH 3 N CH 3 CH 3 OH N H S O IC50 = 3.3 nM 378.5 CC(CN(C)C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667202 OBDepict HO N H N S O H N IC50 = 3.5 nM 333.37 O=c1[nH]c2ccc(O)c(-c3ccc4cn[nH]c4c3)c2c2ccsc12 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672249 OBDepict CH 3 N H 3 C HO N H S O IC50 = 3.6 nM 390.51 CN(C)CC1(c2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2)CC1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672367 OBDepict H 2 N CH 3 H F HO N CH 3 H S O IC50 = 3.6 nM 382.46 Cc1cc(O)c(-c2ccc([C@@H](C)CN)c(F)c2)c2c1[nH]c(=O)c1sccc12 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672245 OBDepict CH 3 N CH 3 CH 3 F OH N H S O IC50 = 3.6 nM 410.51 CCN(CC)C(C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672381 OBDepict H 2 N CH 3 H HO N CH 3 H S O F IC50 = 3.7 nM 382.46 Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1sc(F)cc12 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672237 OBDepict CH 3 N CH 3 CH 3 OH N H S O IC50 = 3.7 nM 406.55 CCC(c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N(CC)CC Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667222 OBDepict HO N H S O N H H 3 C S O O CH 3 IC50 = 3.7 nM 414.51 CC(NS(C)(=O)=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667247 OBDepict CH 3 O N H S O NH 2 H 3 C H IC50 = 3.8 nM 350.44 COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@@H](C)N)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667240 OBDepict NH 2 F O CH 3 N H S O IC50 = 3.8 nM 368.43 COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)c(F)c1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672250 OBDepict CH 3 N H CH 3 OH N H S O IC50 = 3.9 nM 364.47 CCNC(C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672338 OBDepict NH 2 Cl OH N Cl H S O IC50 = 3.9 nM 405.31 NCCc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1Cl Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672296 OBDepict CH 3 N CH 3 CH 3 H OH N H S O IC50 = 4.0 nM 378.5 C[C@H](CN(C)C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672375 OBDepict H 2 N CH 3 H HO N CH 3 H S O Cl IC50 = 4.0 nM 398.92 Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1[nH]c(=O)c1sc(Cl)cc12 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672330 OBDepict NH 2 CH 3 H 3 C O CH 3 N H S O IC50 = 4.1 nM 392.52 COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(C(CN)C(C)C)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3639660 OBDepict CH 3 HN CH 3 OH N H S O IC50 = 4.2 nM 364.47 CC(C)NCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667239 OBDepict OH N H S O N CH 3 IC50 = 4.3 nM 404.54 CC(c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N1CCCCC1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672294 OBDepict NH 2 CH 3 H OH N Cl H S O IC50 = 4.4 nM 384.89 C[C@@H](CN)c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667209 OBDepict NH 2 HO N H S O H 3 C IC50 = 4.4 nM 336.42 Cc1cc2c(s1)c(=O)[nH]c1ccc(O)c(-c3ccc(CN)cc3)c12 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667225 OBDepict H 3 C N CH 3 CH 3 HO N H S O IC50 = 4.5 nM 392.52 CCN(CC)C(C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672323 OBDepict NH 2 OH N H S O IC50 = 4.6 nM 404.54 NCC(c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)C1CCCC1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672315 OBDepict H 2 N F HO N CH 3 H S O IC50 = 4.7 nM 368.43 Cc1cc(O)c(-c2ccc(CCN)c(F)c2)c2c1[nH]c(=O)c1sccc12 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672304 OBDepict H 2 N CH 3 F HO N CH 3 H S O IC50 = 5.1 nM 382.46 Cc1cc(O)c(-c2ccc(C(C)CN)c(F)c2)c2c1[nH]c(=O)c1sccc12 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672236 OBDepict CH 3 NH 2 O CH 3 N H S O IC50 = 5.2 nM 364.47 CCC(N)c1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667208 OBDepict CH 3 N CH 3 OH N H S O IC50 = 5.4 nM 364.47 CN(C)CCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672317 OBDepict NH 2 F OH N Cl H S O IC50 = 5.5 nM 388.85 NCCc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1F Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667227 OBDepict OH N H S O N H S O O CH 3 IC50 = 5.5 nM 400.48 CS(=O)(=O)NCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672271 OBDepict HO CH 3 N H S O H 2 N CH 3 H IC50 = 5.9 nM 350.44 Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1[nH]c(=O)c1sccc12 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667243 OBDepict CH 3 HN O CH 3 N H S O IC50 = 6.0 nM 364.47 CCNCc1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format
CHEMBL3672318 OBDepict NH 2 OH Br OH N H S O IC50 = 6.4 nM 431.31 NCCc1cc(Br)c(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1O Homo sapiens CHEMBL3705860 single protein format
CHEMBL3667215 OBDepict CH 3 N H 3 C OH N H S O IC50 = 6.9 nM 350.44 CN(C)Cc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 Homo sapiens CHEMBL3705860 single protein format