Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma' and Ligand = 'BDBM50213024'   

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/beta/gamma (Homo sapiens (Human))	BDBM50213024 (CHEMBL99572) Show SMILES NC(CCCN=C(N)N)C(=O)NCCNCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:21,(13.58,-3.7,;15.15,-3.33,;15.75,-1.92,;14.96,-.58,;15.92,.61,;15.38,2.05,;16.55,3.05,;18.06,2.54,;16.29,4.53,;15.94,-4.66,;17.46,-4.35,;15.31,-6.08,;13.77,-6.24,;13.16,-7.65,;11.62,-7.81,;10.71,-6.57,;9.18,-6.71,;8.27,-5.48,;6.74,-5.64,;5.83,-4.39,;4.3,-4.56,;3.39,-3.3,;1.85,-3.3,;1.38,-1.83,;-.09,-1.36,;2.62,-.93,;3.86,-1.83,;5.34,-1.36,;.94,-4.56,;-.6,-4.54,;-1.07,-6.01,;-2.48,-6.64,;-2.64,-8.16,;-1.39,-9.07,;.01,-8.44,;.17,-6.92,;1.41,-6.01,)| Show InChI InChI=1S/C25H37N9O3/c26-17(8-6-12-32-25(27)28)22(35)31-14-13-29-10-4-1-5-11-30-21-20(23(36)34-24(21)37)19-15-16-7-2-3-9-18(16)33-19/h2-3,7,9,15,17,29,33H,1,4-6,8,10-14,26H2,(H,31,35)(H4,27,28,32)(H2,30,34,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of c-AMP dependent kinase (PKA) using histone II A protein				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0
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