Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cAMP-dependent protein kinase catalytic subunit alpha' and Ligand = 'BDBM3229'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM3229 ((3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl 3,5...) Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccc3ccccc3c2O)c(O)c1 |r| Show InChI InChI=1S/C31H28N2O8/c34-20-10-7-18(8-11-20)30(39)33-23-16-32-13-3-6-26(23)41-31(40)19-14-24(35)27(25(36)15-19)29(38)22-12-9-17-4-1-2-5-21(17)28(22)37/h1-2,4-5,7-12,14-15,23,26,32,34-37H,3,6,13,16H2,(H,33,39)/t23-,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sphinx Laboratories					Assay Description The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.				J Med Chem 45: 2624-43 (2002) Article DOI: 10.1021/jm020018f BindingDB Entry DOI: 10.7270/Q2BG2M50
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