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 = 'BDBM11827'   

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))	BDBM11827 (Azepane Derivative 8 | N-((3S,4S)-4-{(E)-2-[4-(2-f...) Show SMILES COc1ccc(O)c(C(=O)c2ccc(\C=C\[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r| Show InChI InChI=1S/C28H28FN3O4/c1-36-24-11-10-23(33)25(26(24)29)27(34)20-8-5-18(6-9-20)4-7-19-3-2-14-31-17-22(19)32-28(35)21-12-15-30-16-13-21/h4-13,15-16,19,22,31,33H,2-3,14,17H2,1H3,(H,32,35)/b7-4+/t19-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	7.2	22
Roche Diagnostics GmbH					Assay Description In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...				J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX
					More data for this Ligand-Target Pair				3D Structure (crystal)