BDBM50536001 CHEMBL4576302

SMILES: CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CS(C)(=O)=O)nc1)C(N)=O

InChI Key: InChIKey=NOIZUISCJNBDFJ-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 = 50536001   

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))	BDBM50536001 (CHEMBL4576302) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CS(C)(=O)=O)nc1)C(N)=O Show InChI InChI=1S/C23H28N4O3S/c1-4-15(5-2)11-27-22-19-10-16(7-9-21(19)26-13-20(22)23(24)28)17-6-8-18(25-12-17)14-31(3,29)30/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H2,24,28)(H,26,27)	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50536001 (CHEMBL4576302) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CS(C)(=O)=O)nc1)C(N)=O Show InChI InChI=1S/C23H28N4O3S/c1-4-15(5-2)11-27-22-19-10-16(7-9-21(19)26-13-20(22)23(24)28)17-6-8-18(25-12-17)14-31(3,29)30/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H2,24,28)(H,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50536001 (CHEMBL4576302) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CS(C)(=O)=O)nc1)C(N)=O Show InChI InChI=1S/C23H28N4O3S/c1-4-15(5-2)11-27-22-19-10-16(7-9-21(19)26-13-20(22)23(24)28)17-6-8-18(25-12-17)14-31(3,29)30/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H2,24,28)(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	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