BDBM50335671 4-fluoro-2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-ylamino)quinazolin-2-yl)phenol::CHEMBL1650117

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

InChI Key: InChIKey=CEIIDGPSFYGDIQ-NVXWUHKLSA-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 = 50335671   

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))	BDBM50335671 (4-fluoro-2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyr...) Show SMILES CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(F)ccc1O |r| Show InChI InChI=1S/C21H23FN4O2/c1-21(2,28)15-10-23-11-17(15)25-19-13-5-3-4-6-16(13)24-20(26-19)14-9-12(22)7-8-18(14)27/h3-9,15,17,23,27-28H,10-11H2,1-2H3,(H,24,25,26)/t15-,17-/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	21	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))	BDBM50335671 (4-fluoro-2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyr...) Show SMILES CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(F)ccc1O |r| Show InChI InChI=1S/C21H23FN4O2/c1-21(2,28)15-10-23-11-17(15)25-19-13-5-3-4-6-16(13)24-20(26-19)14-9-12(22)7-8-18(14)27/h3-9,15,17,23,27-28H,10-11H2,1-2H3,(H,24,25,26)/t15-,17-/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	2.60E+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