BDBM14829 (+/-)1-[5-Chloro-2-(2-dimethylamino-1-methyl-ethyloxy)-phenyl]-3-(5-cyano-pyrazin-2-yl)-urea::3-(5-chloro-2-{[1-(dimethylamino)propan-2-yl]oxy}phenyl)-1-(5-cyanopyrazin-2-yl)urea::A-690002::urea-based inhibitor 2d

SMILES: CC(CN(C)C)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

InChI Key: InChIKey=IODANOYNIPFWFE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 14829   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14829 ((+/-)1-[5-Chloro-2-(2-dimethylamino-1-methyl-ethyl...) Show SMILES CC(CN(C)C)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C17H19ClN6O2/c1-11(10-24(2)3)26-15-5-4-12(18)6-14(15)22-17(25)23-16-9-20-13(7-19)8-21-16/h4-6,8-9,11H,10H2,1-3H3,(H2,21,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...				J Med Chem 48: 3118-21 (2005) Article DOI: 10.1021/jm048989d BindingDB Entry DOI: 10.7270/Q2HM56PT
					More data for this Ligand-Target Pair				3D Structure (docked)