BDBM11321 4-{2-[(2-aminoethyl)amino]pyridin-4-yl}-N-(3-chlorophenyl)pyrimidin-2-amine::CGP060476::N-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine

SMILES: NCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1

InChI Key: InChIKey=OGZKVNUWPYUXNL-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 11321   

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
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM11321 (4-{2-[(2-aminoethyl)amino]pyridin-4-yl}-N-(3-chlor...) Show SMILES NCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C17H17ClN6/c18-13-2-1-3-14(11-13)23-17-22-8-5-15(24-17)12-4-7-20-16(10-12)21-9-6-19/h1-5,7-8,10-11H,6,9,19H2,(H,20,21)(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	7.5	22
University of Padova					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...				Biochem J 374: 639-46 (2003) Article DOI: 10.1042/BJ20030674 BindingDB Entry DOI: 10.7270/Q2BV7DTQ
					More data for this Ligand-Target Pair