BDBM139819 US8895581, III-5

SMILES: C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4nc(C)n([C@@H]5CC[C@@H](CC5)N(C)C)c4c3c2)c1=O

InChI Key: InChIKey=VKFOQIFPQVNLLW-WDDWZANVSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 139819   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM139819 (US8895581, III-5) Show SMILES C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc4nc(C)n([C@@H]5CC[C@@H](CC5)N(C)C)c4c3c2)c1=O |r,wU:32.32,35.39,wD:1.0,(2.67,-1.19,;4,-.42,;5.33,-1.19,;5.33,-2.73,;6.67,-3.5,;8,-2.73,;9.34,-3.5,;8,-1.19,;9.34,-.42,;6.67,-.42,;4,1.12,;5.33,1.89,;5.33,3.43,;4,4.2,;2.67,3.43,;1.33,4.2,;1.33,5.74,;,3.43,;-1.33,4.2,;-2.67,3.43,;-4,2.66,;-5.33,1.89,;-6.67,2.66,;-8,1.89,;-8,.35,;-9.34,-.42,;-9.34,-1.96,;-8,-2.73,;-7.68,-4.24,;-6.15,-4.4,;-5.38,-5.74,;-5.52,-2.99,;-4.04,-2.6,;-2.95,-3.69,;-1.46,-3.29,;-1.06,-1.8,;-2.15,-.71,;-3.64,-1.11,;.43,-1.4,;1.52,-2.49,;.82,.09,;-6.67,-1.96,;-6.67,-.42,;-5.33,.35,;2.67,1.89,;1.33,1.12,)| Show InChI InChI=1S/C36H36F2N6O2/c1-22(25-10-15-30(37)31(38)20-25)43-18-6-8-28(36(43)46)35(45)39-17-5-7-24-9-16-32-29(19-24)34-33(21-40-32)41-23(2)44(34)27-13-11-26(12-14-27)42(3)4/h6,8-10,15-16,18-22,26-27H,11-14,17H2,1-4H3,(H,39,45)/t22-,26-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...				US Patent US8895581 (2014) BindingDB Entry DOI: 10.7270/Q2HM5742
					More data for this Ligand-Target Pair