BDBM50335676 (S)-2-(6-(3-hydroxypropyl)-4-(pyrrolidin-3-ylamino)quinazolin-2-yl)phenol::CHEMBL1650093

SMILES: OCCCc1ccc2nc(nc(N[C@H]3CCNC3)c2c1)-c1ccccc1O

InChI Key: InChIKey=MSRXZEPPHBVIHQ-HNNXBMFYSA-N

Data: 2 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 2 hits for monomerid = 50335676   

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))	BDBM50335676 ((S)-2-(6-(3-hydroxypropyl)-4-(pyrrolidin-3-ylamino...) Show SMILES OCCCc1ccc2nc(nc(N[C@H]3CCNC3)c2c1)-c1ccccc1O |r| Show InChI InChI=1S/C21H24N4O2/c26-11-3-4-14-7-8-18-17(12-14)21(23-15-9-10-22-13-15)25-20(24-18)16-5-1-2-6-19(16)27/h1-2,5-8,12,15,22,26-27H,3-4,9-11,13H2,(H,23,24,25)/t15-/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	600	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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50335676 ((S)-2-(6-(3-hydroxypropyl)-4-(pyrrolidin-3-ylamino...) Show SMILES OCCCc1ccc2nc(nc(N[C@H]3CCNC3)c2c1)-c1ccccc1O |r| Show InChI InChI=1S/C21H24N4O2/c26-11-3-4-14-7-8-18-17(12-14)21(23-15-9-10-22-13-15)25-20(24-18)16-5-1-2-6-19(16)27/h1-2,5-8,12,15,22,26-27H,3-4,9-11,13H2,(H,23,24,25)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 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