BDBM50335686 2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-ylamino)quinazolin-2-yl)-4-(1H-pyrazol-4-yl)phenol::CHEMBL1650130

SMILES: CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(ccc1O)-c1cn[nH]c1

InChI Key: InChIKey=PFGYFVZBXUQRIS-UYAOXDASSA-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 = 50335686   

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))	BDBM50335686 (2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3...) Show SMILES CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(ccc1O)-c1cn[nH]c1 |r| Show InChI InChI=1S/C24H26N6O2/c1-24(2,32)18-12-25-13-20(18)29-22-16-5-3-4-6-19(16)28-23(30-22)17-9-14(7-8-21(17)31)15-10-26-27-11-15/h3-11,18,20,25,31-32H,12-13H2,1-2H3,(H,26,27)(H,28,29,30)/t18-,20-/m1/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	14	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))	BDBM50335686 (2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3...) Show SMILES CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(ccc1O)-c1cn[nH]c1 |r| Show InChI InChI=1S/C24H26N6O2/c1-24(2,32)18-12-25-13-20(18)29-22-16-5-3-4-6-19(16)28-23(30-22)17-9-14(7-8-21(17)31)15-10-26-27-11-15/h3-11,18,20,25,31-32H,12-13H2,1-2H3,(H,26,27)(H,28,29,30)/t18-,20-/m1/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	1.70E+3	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