HOME LIGAND hPROTEOME OTHERS DOCUMENT

P19784 | CSK22_HUMAN | Casein kinase II subunit alpha' (CSNK2A2)

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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3699289 OBDepict N N N H 3 C N H N N N HN N + N N N _ C N CH 3 CH 3 IC50 = 0.03 nM 425.42 [C-]#[N+]c1cnc2c(Nc3nc(C)n(C)n3)nc(Nc3ccc4c(c3)c(C#N)nn4C)nn12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699235 OBDepict N N H N Cl N N N OH NH N N IC50 = 0.07 nM 435.88 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(O)C2)c1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699234 OBDepict N N N CH 3 N H N N N NH N N IC50 = 0.09 nM 370.38 Cn1nc(C#N)c2cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)ccc21 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699295 OBDepict N N H Cl OH N N N NH N N IC50 = 0.11 nM 380.8 N#Cc1cc(CO)c(Cl)c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699252 OBDepict N N H N Cl N N N N NH N N S O O CH 3 IC50 = 0.11 nM 553.05 CS(=O)(=O)C1CCN(C2CN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)C2)C1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699237 OBDepict N N H N H Cl N N N N NH O N N IC50 = 0.11 nM 450.89 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(NN2CCOCC2)c1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699282 OBDepict CH 3 N H N N N N H N + N _ C Cl N N H HO H N H O O H 3 C IC50 = 0.13 nM 510.95 [C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(N4CC[C@H](NC(=O)OC)[C@@H](O)C4)c3Cl)nn12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699244 OBDepict N HN N Cl N N N HN NH N N S O O IC50 = 0.15 nM 567.08 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(NC3CCS(=O)(=O)C3)CC2)c1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699266 OBDepict N NH Cl N N N N HN N O H 3 C N IC50 = 0.16 nM 475.94 CC(=O)N1CCC(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699294 OBDepict N N H Cl CH 2 N N N NH N N IC50 = 0.16 nM 376.81 C=Cc1cc(C#N)cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699238 OBDepict N N H N Cl N N N N NH N N O IC50 = 0.2 nM 504.99 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCN(C3CCOC3)CC2)c1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699292 OBDepict H 3 C NH N N N N H N N N N N N OH H 3 C H IC50 = 0.21 nM 485.56 CCNc1nc(Nc2ccc3c(c2)c(C#N)nn3C2CCN(C[C@@H](C)O)CC2)nn2c(C#N)cnc12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699278 OBDepict N N H N Cl N N N N F NH N + N _ C O IC50 = 0.21 nM 522.98 [C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3cc(C#N)cc(N4CCN(C5COC5)CC(F)C4)c3Cl)nn12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699262 OBDepict N HN Cl N N N N NH CH 3 N N IC50 = 0.23 nM 445.92 CN1CC=C(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699296 OBDepict H 3 C HN N N N N H N N Cl N N N O IC50 = 0.23 nM 478.95 CCNc1nc(Nc2cc(C#N)cc(N3CCN(C4COC4)CC3)c2Cl)nn2c(C#N)cnc12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699280 OBDepict N HN Cl N N N N NH N N N O CH 3 IC50 = 0.25 nM 531.02 CC(=O)N1CC(N2CCC(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)C1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699259 OBDepict N NH N Cl N N N H HO NH H N H N N O O O IC50 = 0.26 nM 564.99 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CC[C@@H](NC(=O)OC3COC3)[C@H](O)C2)c1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699255 OBDepict N N H N Cl N N N N NH N N OH IC50 = 0.27 nM 476.93 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CC(N3CC(O)C3)C2)c1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699256 OBDepict CH 3 O N H O H H HO N Cl N H N N N N NH N N IC50 = 0.27 nM 522.96 COC(=O)N[C@@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@H]1O Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699291 OBDepict H 3 C NH N N N N H N N N N N N OH H 3 C H IC50 = 0.27 nM 485.56 CCNc1nc(Nc2ccc3c(c2)c(C#N)nn3C2CCN(C[C@H](C)O)CC2)nn2c(C#N)cnc12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699267 OBDepict N N H Cl N N N N NH O O N N O IC50 = 0.27 nM 533.98 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(C2CCN(C(=O)OC3COC3)CC2)c1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699239 OBDepict N HN N Cl N N N N NH N N OH CH 3 H IC50 = 0.28 nM 492.98 C[C@@H](O)CN1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699253 OBDepict H 3 C O N N Cl N H N N N N HN N N IC50 = 0.31 nM 504.99 COC1CCN(C2CN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)C2)C1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699257 OBDepict CH 3 O N H O H H HO N Cl N H N N N N NH N N IC50 = 0.35 nM 522.96 COC(=O)N[C@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@@H]1O Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699277 OBDepict CH 3 O N H O H H F N Cl N H N N N N NH N N IC50 = 0.45 nM 524.95 COC(=O)N[C@@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@@H]1F Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699269 OBDepict N N N N N H N N H Cl N F F N N CH 3 IC50 = 0.47 nM 529.0 CN1CC(N2CCN(c3cc(C(F)F)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)C1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699258 OBDepict CH 3 O O N H O H H HO N Cl N H N N N N NH N N IC50 = 0.49 nM 567.01 COCCOC(=O)N[C@@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@H]1O Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699254 OBDepict H 3 C O N H O H N H CH 3 N Cl N H N N N N HN N N IC50 = 0.49 nM 562.04 COC(=O)N[C@@H]1CN(C2CN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)C2)C[C@H]1C Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699286 OBDepict H 3 C N H N N N HN N N Cl N N H O H N O IC50 = 0.52 nM 535.01 CCNc1nc(Nc2cc(C#N)cc(N3CC[C@@H]4[C@@H](C3)OCCN4C3COC3)c2Cl)nn2c(C#N)cnc12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699250 OBDepict N HN N Cl N N N HN NH N N H H OH IC50 = 0.54 nM 519.01 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(N[C@H]3C[C@@H](O)C3)CC2)c1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699285 OBDepict CH 3 N H N N N N H N + N _ C Cl N N N H OH H 3 C H IC50 = 0.61 nM 494.99 [C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(N4CCC(NC[C@@H](C)O)CC4)c3Cl)nn12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699287 OBDepict N N H N F N N N N NH N + N _ C N CH 3 IC50 = 0.61 nM 487.55 [C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3cc(C#N)cc(N4CC(N5CCN(C)CC5)C4)c3F)nn12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699242 OBDepict N HN N Cl N N N HN N H N + N _ C F F IC50 = 0.7 nM 538.99 [C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3cc(C#N)cc(N4CCC(NC5CC(F)(F)C5)CC4)c3Cl)nn12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699303 OBDepict H 3 C N H N N N HN N N Cl N N N F F IC50 = 0.74 nM 486.92 CCNc1nc(Nc2cc(C#N)cc(N3CCN(CC(F)F)CC3)c2Cl)nn2c(C#N)cnc12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699274 OBDepict N N N N N H N N H Cl N F F N H 3 C O IC50 = 0.75 nM 529.98 CC1(N2CCN(c3cc(C(F)F)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)COC1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699284 OBDepict CH 3 N H N N N N H N + N _ C Cl N HN IC50 = 0.76 nM 421.9 [C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(C4CCNCC4)c3Cl)nn12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699264 OBDepict HO HO N Cl N H N N N N HN N N IC50 = 0.76 nM 548.05 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(C2CCN(C3CC(CO)(CO)C3)CC2)c1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699297 OBDepict N N H N H Cl N N N N HN N N O IC50 = 0.82 nM 504.99 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(NC2CCN(C3COC3)CC2)c1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699236 OBDepict N HN N Cl N N N NH N N CH 3 N IC50 = 0.87 nM 460.93 CN1CC2(C1)CN(c1cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c1Cl)C2 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699240 OBDepict CH 3 O N O N N Cl N H N N N N NH N N IC50 = 0.93 nM 576.07 COC(=O)N1CCC(N2CCN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)CC1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699293 OBDepict CH 3 N H N N N N H N N N N N N O IC50 = 0.94 nM 483.54 CCNc1nc(Nc2ccc3c(c2)c(C#N)nn3C2CCN(C3COC3)CC2)nn2c(C#N)cnc12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699241 OBDepict N NH N Cl N N N N HN N N S O O CH 3 IC50 = 0.99 nM 541.04 CS(=O)(=O)CCN1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699268 OBDepict CH 3 O N H O H N H O CH 3 Cl N H F F N N N NH N N IC50 = 1.17 nM 547.95 COC(=O)N[C@H]1CN(c2cc(C(F)F)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@H]1OC Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699300 OBDepict N F N H O N N N NH N CH 3 CH 3 N H 3 C H 3 C N CH 3 IC50 = 1.43 nM 503.59 CN1C(C)(C)CC(Oc2cc(F)c(C#N)cc2Nc2nc(NC3CC3)c3ncc(C#N)n3n2)CC1(C)C Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699245 OBDepict N N H N Cl N N N HN N H N N N IC50 = 1.53 nM 528.02 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(NC3CC(C#N)C3)CC2)c1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699251 OBDepict CH 3 O N H O H N H H 3 C N Cl N H N N N N NH N N IC50 = 1.61 nM 590.09 COC(=O)N[C@@H]1CN(C2CCN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)C[C@@H]1C Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699265 OBDepict N N H Cl N N N N NH N N F F F IC50 = 2.05 nM 529.96 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(C2CCN(CCC(F)(F)F)CC2)c1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3681206 OBDepict CH 3 O N N N N H O N H 2 N H O IC50 = 2.2 nM 354.37 COc1cc(-c2cc(C(=O)N[C@H]3CCOC3)c3c(N)ncnn23)ccn1 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3699290 OBDepict _ C + N N N N N H N N H N N N CH 3 CH 3 N N N OH H 3 C H IC50 = 2.47 nM 469.47 [C-]#[N+]c1cnc2c(Nc3nc(C)n(C)n3)nc(Nc3ccc4c(c3)c(C#N)nn4C[C@@H](C)O)nn12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3681201 OBDepict H 3 C O N N N N H O N NH 2 H N O NH 2 IC50 = 2.5 nM 450.5 COc1cc(-c2cc(C(=O)N[C@@H]3CCCN(C(=O)C4(N)CC4)C3)c3c(N)ncnn23)ccn1 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3681202 OBDepict H 3 C O N N N N H O N H 2 N H H N H O OH CH 3 H 3 C IC50 = 2.7 nM 467.53 COc1cc(-c2cc(C(=O)N[C@H]3CC[C@H](NC(=O)C(C)(C)O)CC3)c3c(N)ncnn23)ccn1 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3116050 OBDepict F N N N H CH 3 H N N HN N H N N CH 3 IC50 = 2.7 nM 353.37 C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 Homo sapiens CHEMBL3118226 single protein format
CHEMBL3699302 OBDepict N F HN O N N N N H N HN N IC50 = 2.75 nM 433.45 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(OC2CCNCC2)cc1F Homo sapiens CHEMBL3707628 single protein format
CHEMBL3681194 OBDepict CH 3 O N H O N H O N NH 2 N N N O H 3 C IC50 = 2.8 nM 453.5 CCOC(=O)NC1CCC(NC(=O)c2cc(-c3ccnc(OC)c3)n3ncnc(N)c23)CC1 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3699281 OBDepict CH 3 N H N N N N H N + N _ C Cl N N H HO H N H O O H 3 C IC50 = 2.95 nM 510.95 [C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(N4CC[C@@H](NC(=O)OC)[C@H](O)C4)c3Cl)nn12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699275 OBDepict N N N N N H N NH Cl N F F O IC50 = 3.01 nM 514.97 N#Cc1cnc2c(NC3CC3)nc(Nc3cc(C(F)F)cc(N4CCC(C5COC5)CC4)c3Cl)nn12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3681204 OBDepict H 3 C O N N N N H O N NH 2 H H OH IC50 = 3.2 nM 396.45 COc1cc(-c2cc(C(=O)NC[C@H]3CC[C@H](O)CC3)c3c(N)ncnn23)ccn1 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3699272 OBDepict N N N N N H N NH Cl N F F N N O IC50 = 3.21 nM 540.97 N#Cc1cnc2c(NC3CC3)nc(Nc3cc(C(F)F)cc(N4CCN(C5(C#N)COC5)CC4)c3Cl)nn12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3681203 OBDepict OH H H N H O N NH 2 N N N O H 3 C IC50 = 3.4 nM 396.45 COc1cc(-c2cc(C(=O)N[C@H]3CC[C@@H](CO)CC3)c3c(N)ncnn23)ccn1 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3681200 OBDepict H 2 N N H O H H N H O N H 2 N N N N O CH 3 IC50 = 3.6 nM 478.56 COc1cc(-c2cc(C(=O)N[C@H]3CC[C@H](NC(=O)C4(CN)CC4)CC3)c3c(N)ncnn23)ccn1 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3681205 OBDepict H 3 C O N N N N H O N NH 2 H H O OH IC50 = 3.6 nM 410.43 COc1cc(-c2cc(C(=O)N[C@H]3CC[C@H](C(=O)O)CC3)c3c(N)ncnn23)ccn1 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3681208 OBDepict H 3 C O N N N N H O N H 2 N H H N H O H 3 C H 3 C N IC50 = 3.7 nM 534.67 COc1cc(-c2cc(C(=O)N[C@H]3CC[C@H](NC(=O)C(C)(C)CN4CCCC4)CC3)c3c(N)ncnn23)ccn1 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3681207 OBDepict H 3 C N N H O H H N H O N H 2 N N N N O CH 3 IC50 = 3.9 nM 520.64 CCN1CCCC1CNC(=O)[C@H]1CC[C@H](NC(=O)c2cc(-c3ccnc(OC)c3)n3ncnc(N)c23)CC1 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3699288 OBDepict CH 3 N H N N N N H N + N _ C Cl N F F N O IC50 = 4.53 nM 503.95 [C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C(F)F)cc(N4CCN(C5COC5)CC4)c3Cl)nn12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3760043 OBDepict H 3 C O N H O N S N O OH IC50 = 4.6 nM 355.38 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)nc3)s2)cc1 Homo sapiens CHEMBL3760461 single protein format
CHEMBL3699271 OBDepict N N N N HN N HN Cl N F F N N CH 3 IC50 = 4.72 nM 543.03 CN1CC(CN2CCN(c3cc(C(F)F)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)C1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699304 OBDepict _ C + N N N N N H N NH N Cl N N IC50 = 5.1 nM 352.75 [C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3nc(C#N)ncc3Cl)nn12 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699270 OBDepict H 3 C O N N Cl N H F F N N N HN N N IC50 = 5.96 nM 515.96 COC1CN(C2CN(c3cc(C(F)F)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)C2)C1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3759871 OBDepict H 3 C O N H O N S O O OH F IC50 = 8.8 nM 478.5 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccccc3F)s2)cc1 Homo sapiens CHEMBL3760461 single protein format
CHEMBL3758606 OBDepict H 3 C O N H O N S O O OH N IC50 = 9.5 nM 461.5 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccccn3)s2)cc1 Homo sapiens CHEMBL3760461 single protein format
CHEMBL3758317 OBDepict H 3 C O N H O N S N N O OH IC50 = 9.6 nM 356.36 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)nn3)s2)cc1 Homo sapiens CHEMBL3760461 single protein format
CHEMBL3759512 OBDepict H 3 C O N H O N S O O OH Cl IC50 = 9.8 nM 494.96 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccccc3Cl)s2)cc1 Homo sapiens CHEMBL3760461 single protein format
CHEMBL3758519 OBDepict H 3 C O N H O N S O O OH IC50 = 10.0 nM 446.48 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3Oc3ccccc3)s2)cc1 Homo sapiens CHEMBL3760461 single protein format
CHEMBL3759755 OBDepict H 3 C O N H O N S N O OH IC50 = 10.0 nM 355.38 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cn3)s2)cc1 Homo sapiens CHEMBL3760461 single protein format
CHEMBL3759349 OBDepict H 3 C O N H O N S O O OH N IC50 = 11.0 nM 485.52 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccccc3C#N)s2)cc1 Homo sapiens CHEMBL3760461 single protein format
CHEMBL1230165 OBDepict Cl N H N N O HO IC50 = 11.0 nM 349.78 O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 Homo sapiens CHEMBL3760461 single protein format
CHEMBL3760009 OBDepict H 3 C O N H O N S O O OH IC50 = 11.0 nM 474.54 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCCc3ccccc3)s2)cc1 Homo sapiens CHEMBL3760461 single protein format
CHEMBL3760064 OBDepict H 3 C O N H O N S O O OH IC50 = 12.0 nM 460.51 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3COc3ccccc3)s2)cc1 Homo sapiens CHEMBL3760461 single protein format
CHEMBL3758270 OBDepict H 3 C O N H O N S O O OH IC50 = 12.0 nM 460.51 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccccc3)s2)cc1 Homo sapiens CHEMBL3760461 single protein format
CHEMBL3758895 OBDepict H 3 C O N H O N S O O OH O CH 3 IC50 = 13.0 nM 490.54 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccccc3OC)s2)cc1 Homo sapiens CHEMBL3760461 single protein format
CHEMBL3758777 OBDepict H 3 C O N H O N S O O OH Br IC50 = 14.0 nM 539.41 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccccc3Br)s2)cc1 Homo sapiens CHEMBL3760461 single protein format
CHEMBL3699243 OBDepict N HN N Cl N N N NH N H N N CH 3 CH 3 IC50 = 15.53 nM 491.0 CC(C)NC1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699299 OBDepict N O N H F N N N CH 3 H 3 C NH CH 3 CH 3 NH N N IC50 = 16.04 nM 489.56 CC1(C)CC(Oc2cc(F)c(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)cc2C#N)CC(C)(C)N1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3759193 OBDepict H 3 C O N H O N S O O OH Cl IC50 = 19.0 nM 494.96 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccc(Cl)cc3)s2)cc1 Homo sapiens CHEMBL3760461 single protein format
CHEMBL3699298 OBDepict N O N H F N N N CH 3 H 3 C N CH 3 CH 3 NH CH 3 N N IC50 = 19.71 nM 503.59 CN1C(C)(C)CC(Oc2cc(F)c(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)cc2C#N)CC1(C)C Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699246 OBDepict N N H N Cl N N N NH N H N N F F F IC50 = 20.89 nM 530.95 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(NCC(F)(F)F)CC2)c1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL3699249 OBDepict CH 3 O N H N Cl N H N N N N NH N N IC50 = 24.95 nM 507.0 COCCNC1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 Homo sapiens CHEMBL3707628 single protein format
CHEMBL1928903 OBDepict HO O S N N H Br Br Br Br Ki = 35.0 nM 537.85 O=C(O)CCSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 Homo sapiens CHEMBL1930611 assay format
CHEMBL223082 OBDepict HO O S N N H Br Br Br Br Ki = 37.0 nM 523.83 O=C(O)CSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 Homo sapiens CHEMBL1930611 assay format
CHEMBL4793819 OBDepict OH O N N O O N CH 3 CH 3 CH 3 N OH O HO IC50 = 38.0 nM 458.47 CC(C)(C)OC(=O)N(CCOCCO)c1ccn2ncc(-c3ccc(C(=O)O)c(O)c3)c2n1 Homo sapiens CHEMBL4710113 cell-based format
CHEMBL2087023 OBDepict H 3 C O N H O N S O OH IC50 = 46.0 nM 354.39 COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3)s2)cc1 Homo sapiens CHEMBL2092254 assay format
CHEMBL3681193 OBDepict F N N N N H O N H 2 N H H HO IC50 = 50.0 nM 370.39 Nc1ncnn2c(-c3ccnc(F)c3)cc(C(=O)N[C@H]3CC[C@H](O)CC3)c12 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3681199 OBDepict CH 3 O N N N N H O N NH 2 H H N H O HO CH 3 CH 3 IC50 = 50.0 nM 481.56 COc1cc(-c2cc(C(=O)N[C@H]3CC[C@H](NC(=O)CC(C)(C)O)CC3)c3c(N)ncnn23)ccn1 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3681222 OBDepict O N H N NH 2 N N N N IC50 = 50.0 nM 359.39 Nc1ncnn2c(-c3ccncc3)cc(C(=O)NCCc3ccccn3)c12 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3681209 OBDepict CH 3 O N N N N H O N NH 2 H H O CH 3 CH 3 CH 3 IC50 = 50.0 nM 452.56 COc1cc(-c2cc(C(=O)N[C@H]3CC[C@H](OCC(C)(C)C)CC3)c3c(N)ncnn23)ccn1 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3681220 OBDepict O N H N H NH 2 N N H OH N IC50 = 50.0 nM 352.4 Nc1ncnn2c(-c3ccncc3)cc(C(=O)N[C@H]3CC[C@@H](O)CC3)c12 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3681197 OBDepict CH 3 N H O N H O N NH 2 N N N IC50 = 50.0 nM 393.45 CC(=O)NC1CCC(NC(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3681210 OBDepict CH 3 N O N NH 2 N N N IC50 = 50.0 nM 336.4 CC1CCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3681198 OBDepict O N H N H 2 N N N O N IC50 = 60.0 nM 338.37 Nc1ncnn2c(-c3ccncc3)cc(C(=O)NC3CCOCC3)c12 Homo sapiens CHEMBL3707831 single protein format
CHEMBL3681221 OBDepict O O N H CH 3 H 3 C CH 3 N H O N NH 2 N N N IC50 = 60.0 nM 439.52 CC(C)(C)OC(=O)NCCCCCNC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12 Homo sapiens CHEMBL3707831 single protein format