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O15530 | PDPK1_HUMAN | 3-phosphoinositide-dependent protein kinase 1 (PDPK1)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "PH domain-like" // PH_3 ]

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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
CHEMBL1940246 OBDepict F H H N H N N O N NH 2 N N H 3 C H 3 C Ki = 0.6 nM 459.53 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21 Homo sapiens CHEMBL1942054 single protein format
CHEMBL1938415 OBDepict F H O H N H N N O N NH 2 N N H 3 C H 3 C Ki = 0.6 nM 461.5 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3COC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21 Homo sapiens CHEMBL1942054 single protein format
CHEMBL1940251 OBDepict O N H H HN N F N O N H 2 N N N CH 3 CH 3 Ki = 0.7 nM 488.53 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21 Homo sapiens CHEMBL1942054 single protein format
CHEMBL1940247 OBDepict F H H N H 3 C N N O N H 2 N N N CH 3 H 3 C Ki = 0.9 nM 473.56 CC(C)n1cc(C(=O)c2cncc(N(C)[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21 Homo sapiens CHEMBL1942054 single protein format
CHEMBL3644712 OBDepict CH 3 O N N O HN O F F N N N CH 3 H 3 C H 3 C IC50 = 1.0 nM 556.57 COc1cc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL3705594 assay format
CHEMBL3644710 OBDepict O NH O N CH 3 H F F N N N H 3 C CH 3 CH 3 IC50 = 1.0 nM 539.59 Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C Homo sapiens CHEMBL3705594 assay format
CHEMBL3644680 OBDepict O N H N O N F F N N H N IC50 = 1.0 nM 470.44 O=C(NCC#Cc1ccc2ncc3nc[nH]c3c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O Homo sapiens CHEMBL3705594 assay format
CHEMBL3689244 OBDepict CH 3 N N H N N H O O N CH 3 H F F IC50 = 1.0 nM 569.66 CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL1940250 OBDepict F H N H H N H N N O N NH 2 N N H 3 C H 3 C Ki = 1.0 nM 460.52 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21 Homo sapiens CHEMBL1942054 single protein format
CHEMBL3644700 OBDepict HO N H O F NH O N N N H 3 C H 3 C H 3 C IC50 = 1.0 nM 537.6 Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@H](CO)c5cccc(F)c5)c4=O)cc3c2n1C(C)C Homo sapiens CHEMBL3705594 assay format
CHEMBL3689220 OBDepict HO N H O F NH O F N N HN N CH 3 IC50 = 1.0 nM 586.64 CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](CO)c5ccc(F)c(F)c5)c4=O)cc3n2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689239 OBDepict CH 3 N NH N NH O N O N F F IC50 = 1.0 nM 542.59 CN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3644758 OBDepict H 3 C N N N NH O N O N F F IC50 = 1.0 nM 498.49 CCn1cnc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c21 Homo sapiens CHEMBL3705594 assay format
CHEMBL1940248 OBDepict F H O H N H N N O N NH 2 N N H 3 C H 3 C Ki = 1.3 nM 461.5 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCO[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21 Homo sapiens CHEMBL1942054 single protein format
CHEMBL1940252 OBDepict F H N H N H O H 3 C N N O N H 2 N N N CH 3 CH 3 Ki = 1.4 nM 502.55 CC(=O)N1CC[C@@H](Nc2cncc(C(=O)c3cn(C(C)C)c4ncnc(N)c34)n2)[C@H]1c1ccc(F)cc1 Homo sapiens CHEMBL1942054 single protein format
CHEMBL1940253 OBDepict H 3 C N O H H N H N N O N H 2 N N N H 3 C CH 3 Ki = 1.4 nM 484.56 CC(=O)N1CC[C@@H](Nc2cncc(C(=O)c3cn(C(C)C)c4ncnc(N)c34)n2)[C@H]1c1ccccc1 Homo sapiens CHEMBL1942054 single protein format
CHEMBL3689245 OBDepict HO N H O F NH O N NH N CH 3 IC50 = 2.0 nM 567.67 CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@H](CO)c5cccc(F)c5)c4=O)cc3c2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689241 OBDepict CH 3 N HN N NH O O N F F IC50 = 2.0 nM 555.63 CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3644697 OBDepict O NH O N F F N N N H 3 C CH 3 CH 3 IC50 = 2.0 nM 525.56 Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C Homo sapiens CHEMBL3705594 assay format
CHEMBL3644733 OBDepict H 3 C N N CH 3 N N NH O O N H 3 C H F F IC50 = 2.0 nM 594.67 Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2n1C1CCN(C)CC1 Homo sapiens CHEMBL3705594 assay format
CHEMBL3644703 OBDepict HO N H O F NH O F N N N H 3 C H 3 C H 3 C IC50 = 2.0 nM 555.59 Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@H](CO)c5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C Homo sapiens CHEMBL3705594 assay format
CHEMBL3689201 OBDepict CH 3 N HN N N NH O O N H 3 C H F F IC50 = 2.0 nM 556.62 C[C@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(NC4CCN(C)CC4)nc3c2)c1=O Homo sapiens CHEMBL3705125 single protein format
CHEMBL3639436 OBDepict O NH N O N F F N N N H 3 C CH 3 IC50 = 2.0 nM 512.52 CC(C)n1cnc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c21 Homo sapiens CHEMBL3705594 assay format
CHEMBL3644759 OBDepict CH 3 N CH 3 N N HN O N O N F F IC50 = 2.0 nM 512.52 CCn1c(C)nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c21 Homo sapiens CHEMBL3705594 assay format
CHEMBL3644683 OBDepict OH N N N NH O N O N F F IC50 = 2.0 nM 528.52 O=C(NCC#Cc1ccc2ncc3ncn(CCCO)c3c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O Homo sapiens CHEMBL3705594 assay format
CHEMBL3644689 OBDepict CH 3 N N N N N H O N O N F F IC50 = 2.0 nM 567.6 CN1CCC(n2cnc3cnc4ccc(C#CCNC(=O)c5cncn(Cc6ccc(F)c(F)c6)c5=O)cc4c32)CC1 Homo sapiens CHEMBL3705594 assay format
CHEMBL3644695 OBDepict CH 3 N N O H 3 C H NH O F F N N N CH 3 H 3 C H 3 C IC50 = 2.0 nM 554.6 Cc1cc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n([C@H](C)c2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL3705594 assay format
CHEMBL3689293 OBDepict CH 3 N CH 3 O N N H O O N CH 3 F F IC50 = 2.0 nM 544.6 CC(c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OCCCN(C)C)c3c2)c1=O Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689221 OBDepict CH 3 N N H N N N H O N O N CH 3 H F F IC50 = 2.0 nM 571.63 CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3n2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3644704 OBDepict O NH N O N F F N N N H 3 C CH 3 CH 3 IC50 = 2.0 nM 526.55 Cc1nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C Homo sapiens CHEMBL3705594 assay format
CHEMBL3689294 OBDepict OH N O F NH O F N O N H 3 C CH 3 IC50 = 2.0 nM 560.6 CN(C)CCCOc1ccnc2ccc(C#CCNC(=O)c3cccn(C(CO)c4ccc(F)c(F)c4)c3=O)cc12 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3644713 OBDepict HO N H O NH O N N N H 3 C H 3 C H 3 C IC50 = 2.0 nM 519.61 Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](CO)c5ccccc5)c4=O)cc3c2n1C(C)C Homo sapiens CHEMBL3705594 assay format
CHEMBL3689311 OBDepict H 3 C N H O N N H O O N H 3 C F F F IC50 = 2.0 nM 588.63 CC(c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCCN(C)C4)c3c2)c1=O Homo sapiens CHEMBL3705125 single protein format
CHEMBL3644722 OBDepict H 2 N N H O F NH O F N N N H 3 C H 3 C H 3 C IC50 = 2.0 nM 554.6 Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](CN)c5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C Homo sapiens CHEMBL3705594 assay format
CHEMBL3689310 OBDepict H 3 C N H O N N H O O N F F F IC50 = 2.0 nM 574.6 CN1CCC[C@@H](COc2ccnc3ccc(C#CCNC(=O)c4cccn(Cc5cc(F)c(F)c(F)c5)c4=O)cc23)C1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689303 OBDepict H 3 C N H O N HN O O N F F F IC50 = 2.0 nM 560.58 CN1CC[C@H](COc2ccnc3ccc(C#CCNC(=O)c4cccn(Cc5cc(F)c(F)c(F)c5)c4=O)cc23)C1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL1940245 OBDepict O N N N NH 2 N N N H H 3 C CH 3 H H Ki = 2.0 nM 441.54 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccccc3)n2)c2c(N)ncnc21 Homo sapiens CHEMBL1942054 single protein format
CHEMBL3689292 OBDepict O HN N O N F F N O HN IC50 = 2.0 nM 543.57 O=C(NCC#Cc1ccc2nccc(OCC3CCCNC3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O Homo sapiens CHEMBL3705125 single protein format
CHEMBL3644755 OBDepict O HN N O N F F N N N H 3 C O IC50 = 2.0 nM 568.58 Cc1nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C1CCCOC1 Homo sapiens CHEMBL3705594 assay format
CHEMBL1940249 OBDepict F H NH H N H N N O N NH 2 N N H 3 C H 3 C Ki = 2.5 nM 460.52 CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CNC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21 Homo sapiens CHEMBL1942054 single protein format
CHEMBL3689211 OBDepict HO N H O F NH O F N N NH N H 3 C IC50 = 3.0 nM 572.62 CN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](CO)c5ccc(F)c(F)c5)c4=O)cc3n2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689315 OBDepict CH 3 N CH 3 H O N HN O O N F F IC50 = 3.0 nM 584.67 CC(C)N1CCC[C@@H](COc2ccnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)C1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689226 OBDepict O N H N O N F N F N N H N O IC50 = 3.0 nM 585.62 O=C(NCC#Cc1ccc2ncc(NC3CCN(C4COC4)CC3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689198 OBDepict O NH N O N F N F N N H NH IC50 = 3.0 nM 529.55 O=C(NCC#Cc1ccc2ncc(NC3CCNCC3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O Homo sapiens CHEMBL3705125 single protein format
CHEMBL3640540 OBDepict OH N NH N N HN O N O N F F IC50 = 3.0 nM 573.6 O=C(NCC#Cc1ccc2ncc(NC3CCN(CCO)CC3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689304 OBDepict CH 3 N H O N N H O O N H 3 C F F IC50 = 3.0 nM 556.61 CC(c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@H]4CCN(C)C4)c3c2)c1=O Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689205 OBDepict O NH N O N F N F N N H H H NH 2 IC50 = 3.0 nM 543.58 N[C@H]1CC[C@H](Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689295 OBDepict CH 3 N H O N N H O O N H 3 C F F F IC50 = 3.0 nM 574.6 CC(c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@@H]4CCN(C)C4)c3c2)c1=O Homo sapiens CHEMBL3705125 single protein format
CHEMBL1097955 OBDepict CH 3 O O CH 3 N N NH 2 N O NH 2 H 3 C H IC50 = 3.0 nM 405.46 COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H](C)N)c4)cc3c2cc1OC Homo sapiens CHEMBL1103719 cell-based format
CHEMBL1095621 OBDepict CH 3 O O N H 3 C NH 2 N N O NH 2 H F IC50 = 3.0 nM 499.55 COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H](N)Cc5ccc(F)cc5)c4)cc3c2cc1OC Homo sapiens CHEMBL1103719 cell-based format
CHEMBL3689291 OBDepict O NH N O N F F N O HN IC50 = 3.0 nM 529.55 O=C(NCC#Cc1ccc2nccc(OCC3CCNC3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O Homo sapiens CHEMBL3705125 single protein format
CHEMBL1094320 OBDepict CH 3 H 2 N H O N N NH 2 N O H 3 C O H 3 C IC50 = 3.0 nM 419.49 CC[C@@H](N)COc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1 Homo sapiens CHEMBL1103719 cell-based format
CHEMBL232176 OBDepict H 3 C N H O N H NH O H 2 N IC50 = 3.0 nM 296.33 CC/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1ccc[nH]1 Homo sapiens CHEMBL896553 single protein format
CHEMBL3644681 OBDepict OH N N N NH O N O N F F IC50 = 4.0 nM 514.49 O=C(NCC#Cc1ccc2ncc3ncn(CCO)c3c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O Homo sapiens CHEMBL3705594 assay format
CHEMBL3644736 OBDepict O N H O N F F N N H N IC50 = 4.0 nM 469.45 O=C(NCC#Cc1ccc2ncc3nc[nH]c3c2c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O Homo sapiens CHEMBL3705594 assay format
CHEMBL3689217 OBDepict CH 3 N H F H HN N N N H O N O N F F IC50 = 4.0 nM 575.6 CCN1CC[C@H](Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)[C@H](F)C1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689225 OBDepict CH 3 O N N H N N N H O O N H OH F IC50 = 4.0 nM 598.68 COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@H](CO)c5cccc(F)c5)c4=O)cc3n2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3644682 OBDepict O HN N O N F F N N N IC50 = 4.0 nM 524.53 O=C(NCC#Cc1ccc2ncc3ncn(C4CCC4)c3c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O Homo sapiens CHEMBL3705594 assay format
CHEMBL3689233 OBDepict OH N H O F N H O N N N H N O IC50 = 4.0 nM 596.66 O=C(NCC#Cc1ccc2ncc(NC3CCN(C4COC4)CC3)nc2c1)c1cccn([C@H](CO)c2cccc(F)c2)c1=O Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689191 OBDepict CH 3 N NH N N NH O N O N F F IC50 = 4.0 nM 543.58 CN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3644699 OBDepict CH 3 O N N O NH O F F N N N CH 3 H 3 C H 3 C IC50 = 4.0 nM 570.6 CCOc1cc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL3705594 assay format
CHEMBL3689240 OBDepict CH 3 N HN N NH O N O N F F IC50 = 4.0 nM 556.62 CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689316 OBDepict O HN O N F F N O H N H IC50 = 4.0 nM 542.59 O=C(NCC#Cc1ccc2nccc(OC[C@@H]3CCCNC3)c2c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689242 OBDepict CH 3 O N HN N NH O N O N F F IC50 = 4.0 nM 586.64 COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689305 OBDepict CH 3 N H O N N H O O N H 3 C F F F IC50 = 4.0 nM 574.6 CC(c1cc(F)c(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3nccc(OC[C@H]4CCN(C)C4)c3c2)c1=O Homo sapiens CHEMBL3705125 single protein format
CHEMBL3652573 OBDepict OH N N Cl NH 2 N N H N N N CH 3 IC50 = 4.7 nM 460.93 Cn1cc(-c2cnc3[nH]cc(-c4cc(N(CCO)c5ccccc5Cl)nc(N)n4)c3c2)cn1 Homo sapiens CHEMBL3705571 single protein format
CHEMBL3639514 OBDepict OH O N N Cl NH 2 N N H N N N CH 3 IC50 = 4.8 nM 488.94 Cn1cc(-c2cnc3[nH]cc(-c4cc(N(CCC(=O)O)c5ccccc5Cl)nc(N)n4)c3c2)cn1 Homo sapiens CHEMBL3705571 single protein format
CHEMBL3644761 OBDepict CH 3 O N N O HN O F F N N N CH 3 H 3 C IC50 = 5.0 nM 556.57 CCOc1cc(C(=O)NCC#Cc2ccc3ncc4ncn(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL3705594 assay format
CHEMBL1095278 OBDepict NH 2 O N N NH 2 N O CH 3 O CH 3 IC50 = 5.0 nM 391.43 COc1cc2ncc3c(N)nc(-c4cncc(OCCN)c4)cc3c2cc1OC Homo sapiens CHEMBL1103719 cell-based format
CHEMBL228654 OBDepict NH 2 HN O N H O H 3 C N H IC50 = 5.0 nM 282.3 C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1ccc[nH]1 Homo sapiens CHEMBL896553 single protein format
CHEMBL3644698 OBDepict Cl N N O HN O F F N N N H 3 C CH 3 CH 3 IC50 = 5.0 nM 560.99 Cc1nc2cnc3ccc(C#CCNC(=O)c4cc(Cl)nn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C Homo sapiens CHEMBL3705594 assay format
CHEMBL3689213 OBDepict H 3 C N CH 3 H H NH N N NH O N O N F F IC50 = 5.0 nM 571.63 CN(C)[C@H]1CC[C@H](Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689208 OBDepict CH 3 O N HN N N NH O N O N F F IC50 = 5.0 nM 587.63 COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689296 OBDepict CH 3 N H 3 C O N N H O O N F F F IC50 = 5.0 nM 548.57 CN(C)CCCOc1ccnc2ccc(C#CCNC(=O)c3cccn(Cc4cc(F)c(F)c(F)c4)c3=O)cc12 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689297 OBDepict CH 3 N H 3 C O N NH O N O N F F IC50 = 5.0 nM 545.59 CN(C)CCCCOc1ccnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3644748 OBDepict O N H CH 3 N O N H 3 C F F N N N H 3 C O IC50 = 5.0 nM 584.63 Cc1nc2cnc3ccc(C#CCNC(=O)c4c(C)n(C)n(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C1CCOCC1 Homo sapiens CHEMBL3705594 assay format
CHEMBL3689202 OBDepict CH 3 N NH N N NH O O N F F IC50 = 5.0 nM 542.59 CN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3644708 OBDepict O N H CH 3 N O N H 3 C H 3 C F F N N N H 3 C H 3 C H 3 C IC50 = 5.0 nM 556.62 Cc1nc2cnc3ccc(C#CCNC(=O)c4c(C)n(C)n(C(C)c5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C Homo sapiens CHEMBL3705594 assay format
CHEMBL3689270 OBDepict CH 3 N O N NH O O N F F IC50 = 5.0 nM 556.61 CN1CCCC(COc2ccnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)C1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3652582 OBDepict OH N N F NH 2 N N H N N N CH 3 IC50 = 5.0 nM 444.47 Cn1cc(-c2cnc3[nH]cc(-c4cc(N(CCO)c5ccccc5F)nc(N)n4)c3c2)cn1 Homo sapiens CHEMBL3705571 single protein format
CHEMBL3644709 OBDepict O N H CH 3 N O N H 3 C F F N N N H 3 C H 3 C H 3 C IC50 = 5.0 nM 542.59 Cc1nc2cnc3ccc(C#CCNC(=O)c4c(C)n(C)n(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C Homo sapiens CHEMBL3705594 assay format
CHEMBL3644706 OBDepict CH 3 N CH 3 N N H O O F F N N N CH 3 H 3 C H 3 C IC50 = 5.0 nM 556.62 CCc1c(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1C Homo sapiens CHEMBL3705594 assay format
CHEMBL3644757 OBDepict O NH N O N F F N N N H 3 C IC50 = 5.0 nM 484.47 Cn1cnc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c21 Homo sapiens CHEMBL3705594 assay format
CHEMBL3652583 OBDepict NH 2 N N N N O H N N N H 3 C IC50 = 5.0 nM 424.47 Cn1cc(-c2cnc3[nH]cc(-c4cc(N5CCOc6ccccc65)nc(N)n4)c3c2)cn1 Homo sapiens CHEMBL3705571 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 = 5.2 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL3807896 single protein format
CHEMBL1095279 OBDepict CH 3 O O CH 3 N N NH 2 N O NH 2 H 3 C H IC50 = 6.0 nM 405.46 COc1cc2ncc3c(N)nc(-c4cncc(OC[C@H](C)N)c4)cc3c2cc1OC Homo sapiens CHEMBL1103719 cell-based format
CHEMBL3640489 OBDepict CH 3 O N CH 3 N N N H O O N F F IC50 = 6.0 nM 579.61 COc1ccc(CN(C)c2ncnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)cc1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL1097956 OBDepict CH 3 H 2 N H O N N NH 2 N O H 3 C O H 3 C IC50 = 6.0 nM 419.49 CC[C@H](N)COc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1 Homo sapiens CHEMBL1103719 cell-based format
CHEMBL3689307 OBDepict CH 3 N CH 3 O N NH O N O N F F IC50 = 6.0 nM 559.62 CCN(CC)CCCOc1ccnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3640493 OBDepict HO N H O NH O N N N H 3 C H 3 C IC50 = 6.0 nM 495.58 CCN(CC)c1ncnc2ccc(C#CCNC(=O)c3cccn([C@H](CO)c4ccccc4)c3=O)cc12 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3689306 OBDepict H 3 C N H O N HN O O N F F F IC50 = 6.0 nM 560.58 CN1CC[C@@H](COc2ccnc3ccc(C#CCNC(=O)c4cccn(Cc5cc(F)c(F)c(F)c5)c4=O)cc23)C1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL3647298 OBDepict H 3 C N H 3 C N N H 3 C N N H O N O N F F IC50 = 6.0 nM 569.62 CN(C)CCCc1nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C Homo sapiens CHEMBL3705594 assay format
CHEMBL3644726 OBDepict H 3 C N N CH 3 N N NH O O N F F IC50 = 6.0 nM 580.64 Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C1CCN(C)CC1 Homo sapiens CHEMBL3705594 assay format
CHEMBL1095612 OBDepict H 3 C O O N CH 3 H 2 N N N O NH 2 H N H IC50 = 6.0 nM 520.59 COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H](N)Cc5c[nH]c6ccccc56)c4)cc3c2cc1OC Homo sapiens CHEMBL1103719 cell-based format
CHEMBL3689193 OBDepict CH 3 N HN N N NH O N O N F F IC50 = 6.0 nM 557.61 CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1 Homo sapiens CHEMBL3705125 single protein format
CHEMBL1097972 OBDepict CH 3 O O N H 3 C NH 2 N N O NH 2 H Cl Cl IC50 = 6.0 nM 550.45 COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H](N)Cc5ccc(Cl)c(Cl)c5)c4)cc3c2cc1OC Homo sapiens CHEMBL1103719 cell-based format
CHEMBL3652581 OBDepict OH N N F NH 2 N F N H N N N CH 3 IC50 = 6.5 nM 462.46 Cn1cc(-c2cnc3[nH]cc(-c4cc(N(CCO)c5ccc(F)cc5F)nc(N)n4)c3c2)cn1 Homo sapiens CHEMBL3705571 single protein format
CHEMBL3644749 OBDepict OH N H O F HN O N N N O IC50 = 7.0 nM 551.58 O=C(NCC#Cc1ccc2ncc3ncn(C4CCOC4)c3c2c1)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O Homo sapiens CHEMBL3705594 assay format
CHEMBL3652585 OBDepict CH 3 O N N Cl NH 2 N N H N N N H 3 C IC50 = 7.0 nM 474.96 COCCN(c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1)c1ccccc1Cl Homo sapiens CHEMBL3705571 single protein format
CHEMBL3644727 OBDepict CH 3 N CH 3 N N N N H O O N F F IC50 = 7.0 nM 594.67 CC(C)N1CCC(n2cnc3cnc4ccc(C#CCNC(=O)c5cccn(Cc6ccc(F)c(F)c6)c5=O)cc4c32)CC1 Homo sapiens CHEMBL3705594 assay format