BDBM50468018 CHEMBL4287961

SMILES: CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)C1=CCOCC1

InChI Key: InChIKey=BGTJHXYQADHXJK-UHFFFAOYSA-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 = 50468018   

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))	BDBM50468018 (CHEMBL4287961) Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)C1=CCOCC1 |t:26| Show InChI InChI=1S/C21H21N3O3S/c1-28(25,26)21(8-9-21)19-13-18(14-6-11-27-12-7-14)23-20(24-19)16-3-2-4-17-15(16)5-10-22-17/h2-6,10,13,22H,7-9,11-12H2,1H3	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HT29 cells after 60 mins by Hoechst 33258 staining-based assay				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468018 (CHEMBL4287961) Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)C1=CCOCC1 |t:26| Show InChI InChI=1S/C21H21N3O3S/c1-28(25,26)21(8-9-21)19-13-18(14-6-11-27-12-7-14)23-20(24-19)16-3-2-4-17-15(16)5-10-22-17/h2-6,10,13,22H,7-9,11-12H2,1H3	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair