BDBM50535998 CHEMBL4550293

SMILES: NC(=O)c1cnc2ccc(cc2c1NCC1CCCCC1)-c1cccnc1

InChI Key: InChIKey=JKADCYKTYYGDKT-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 = 50535998   

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))	BDBM50535998 (CHEMBL4550293) Show SMILES NC(=O)c1cnc2ccc(cc2c1NCC1CCCCC1)-c1cccnc1 Show InChI InChI=1S/C22H24N4O/c23-22(27)19-14-25-20-9-8-16(17-7-4-10-24-13-17)11-18(20)21(19)26-12-15-5-2-1-3-6-15/h4,7-11,13-15H,1-3,5-6,12H2,(H2,23,27)(H,25,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50535998 (CHEMBL4550293) Show SMILES NC(=O)c1cnc2ccc(cc2c1NCC1CCCCC1)-c1cccnc1 Show InChI InChI=1S/C22H24N4O/c23-22(27)19-14-25-20-9-8-16(17-7-4-10-24-13-17)11-18(20)21(19)26-12-15-5-2-1-3-6-15/h4,7-11,13-15H,1-3,5-6,12H2,(H2,23,27)(H,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	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-protein kinase ATM (Homo sapiens (Human))	BDBM50535998 (CHEMBL4550293) Show SMILES NC(=O)c1cnc2ccc(cc2c1NCC1CCCCC1)-c1cccnc1 Show InChI InChI=1S/C22H24N4O/c23-22(27)19-14-25-20-9-8-16(17-7-4-10-24-13-17)11-18(20)21(19)26-12-15-5-2-1-3-6-15/h4,7-11,13-15H,1-3,5-6,12H2,(H2,23,27)(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	456	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