BDBM50378197 CHEMBL4167277

SMILES: CCC(CC)CNc1c(cnc2cc(F)c(cc12)-c1cnc(NCCN2CCCC2)nc1)C(N)=O

InChI Key: InChIKey=YZMHRXIVRHGKIZ-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 = 50378197   

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-protein kinase ATM (Homo sapiens (Human))	BDBM50378197 (CHEMBL4167277) Show SMILES CCC(CC)CNc1c(cnc2cc(F)c(cc12)-c1cnc(NCCN2CCCC2)nc1)C(N)=O Show InChI InChI=1S/C26H34FN7O/c1-3-17(4-2)13-31-24-20-11-19(22(27)12-23(20)30-16-21(24)25(28)35)18-14-32-26(33-15-18)29-7-10-34-8-5-6-9-34/h11-12,14-17H,3-10,13H2,1-2H3,(H2,28,35)(H,30,31)(H,29,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM autophosphorylation at Ser1981 in human HT29 cells preincubated for 1 hr followed by X ray irradiation and measured after 1 hr by H...				J Med Chem 61: 3823-3841 (2018) Article DOI: 10.1021/acs.jmedchem.7b01896 BindingDB Entry DOI: 10.7270/Q2RB775P
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50378197 (CHEMBL4167277) Show SMILES CCC(CC)CNc1c(cnc2cc(F)c(cc12)-c1cnc(NCCN2CCCC2)nc1)C(N)=O Show InChI InChI=1S/C26H34FN7O/c1-3-17(4-2)13-31-24-20-11-19(22(27)12-23(20)30-16-21(24)25(28)35)18-14-32-26(33-15-18)29-7-10-34-8-5-6-9-34/h11-12,14-17H,3-10,13H2,1-2H3,(H2,28,35)(H,30,31)(H,29,32,33)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 HT29 cells assessed as decrease in Chk1 phosphorylation at Ser 345 preincubated for 1 hr followed by 4NQO addition and mea...				J Med Chem 61: 3823-3841 (2018) Article DOI: 10.1021/acs.jmedchem.7b01896 BindingDB Entry DOI: 10.7270/Q2RB775P
					More data for this Ligand-Target Pair