BDBM50535973 CHEMBL4532124

SMILES: NC(=O)c1cnc2ccc(c(F)c2c1NC1CCOCC1)-c1cccnc1

InChI Key: InChIKey=GSQOKOLEAZWSAN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50535973   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50535973 (CHEMBL4532124) Show SMILES NC(=O)c1cnc2ccc(c(F)c2c1NC1CCOCC1)-c1cccnc1 Show InChI InChI=1S/C20H19FN4O2/c21-18-14(12-2-1-7-23-10-12)3-4-16-17(18)19(15(11-24-16)20(22)26)25-13-5-8-27-9-6-13/h1-4,7,10-11,13H,5-6,8-9H2,(H2,22,26)(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by electrophysiology assay				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50535973 (CHEMBL4532124) Show SMILES NC(=O)c1cnc2ccc(c(F)c2c1NC1CCOCC1)-c1cccnc1 Show InChI InChI=1S/C20H19FN4O2/c21-18-14(12-2-1-7-23-10-12)3-4-16-17(18)19(15(11-24-16)20(22)26)25-13-5-8-27-9-6-13/h1-4,7,10-11,13H,5-6,8-9H2,(H2,22,26)(H,24,25)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HT-29 cells assessed as reduction in Chk1 phosphorylation at Ser-345 residue after 60 mins in presence of 4-nitroquinoline...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50535973 (CHEMBL4532124) Show SMILES NC(=O)c1cnc2ccc(c(F)c2c1NC1CCOCC1)-c1cccnc1 Show InChI InChI=1S/C20H19FN4O2/c21-18-14(12-2-1-7-23-10-12)3-4-16-17(18)19(15(11-24-16)20(22)26)25-13-5-8-27-9-6-13/h1-4,7,10-11,13H,5-6,8-9H2,(H2,22,26)(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
					More data for this Ligand-Target Pair