BDBM50335672 (S)-2-(6-methoxy-4-(pyrrolidin-3-ylamino)quinazolin-2-yl)phenol::CHEMBL1650118

SMILES: COc1ccc2nc(nc(N[C@H]3CCNC3)c2c1)-c1ccccc1O

InChI Key: InChIKey=SJYIEBHTPJWACJ-LBPRGKRZSA-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 = 50335672   

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 CHK2 (Homo sapiens (Human))	BDBM50335672 ((S)-2-(6-methoxy-4-(pyrrolidin-3-ylamino)quinazoli...) Show SMILES COc1ccc2nc(nc(N[C@H]3CCNC3)c2c1)-c1ccccc1O |r| Show InChI InChI=1S/C19H20N4O2/c1-25-13-6-7-16-15(10-13)19(21-12-8-9-20-11-12)23-18(22-16)14-4-2-3-5-17(14)24/h2-7,10,12,20,24H,8-9,11H2,1H3,(H,21,22,23)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK2 by DELFIA assay				J Med Chem 54: 580-90 (2011) Article DOI: 10.1021/jm101150b BindingDB Entry DOI: 10.7270/Q2DF6RHX
					More data for this Ligand-Target Pair