BDBM50535975 CHEMBL4585977

SMILES: CCC(CC)CNc1c(cnc2ccc(cc12)-c1cccnn1)C(N)=O

InChI Key: InChIKey=FLPIGVIYWNVKGE-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 = 50535975   

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 ATR (Homo sapiens (Human))	BDBM50535975 (CHEMBL4585977) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1cccnn1)C(N)=O Show InChI InChI=1S/C20H23N5O/c1-3-13(4-2)11-23-19-15-10-14(17-6-5-9-24-25-17)7-8-18(15)22-12-16(19)20(21)26/h5-10,12-13H,3-4,11H2,1-2H3,(H2,21,26)(H,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.50E+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))	BDBM50535975 (CHEMBL4585977) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1cccnn1)C(N)=O Show InChI InChI=1S/C20H23N5O/c1-3-13(4-2)11-23-19-15-10-14(17-6-5-9-24-25-17)7-8-18(15)22-12-16(19)20(21)26/h5-10,12-13H,3-4,11H2,1-2H3,(H2,21,26)(H,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	571	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50535975 (CHEMBL4585977) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1cccnn1)C(N)=O Show InChI InChI=1S/C20H23N5O/c1-3-13(4-2)11-23-19-15-10-14(17-6-5-9-24-25-17)7-8-18(15)22-12-16(19)20(21)26/h5-10,12-13H,3-4,11H2,1-2H3,(H2,21,26)(H,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	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