Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   

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   (347/351 = 99%)† (Bos taurus (bovine))	BDBM16222 (CCT077373 | N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}am...) Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...				J Med Chem 50: 2289-92 (2007) Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha   (347/351 = 99%)† (Bos taurus (bovine))	BDBM16222 (CCT077373 | N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}am...) Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...				J Mol Biol 367: 882-94 (2007) Article DOI: 10.1016/j.jmb.2007.01.004 BindingDB Entry DOI: 10.7270/Q29Z934H
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha   (347/351 = 99%)† (Bos taurus (bovine))	BDBM16222 (CCT077373 | N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}am...) Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	7.2	22
UK Centre for Cancer Therapeutics					Assay Description The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...				Bioorg Med Chem 14: 1255-73 (2006) Article DOI: 10.1016/j.bmc.2005.09.055 BindingDB Entry DOI: 10.7270/Q2FN14F2
					More data for this Ligand-Target Pair				3D Structure (crystal)

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