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SMILES: CCC(CC)CNc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O

InChI Key: InChIKey=KHOSFSGTKQFGDP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50535969   

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))	BDBM50535969 (CHEMBL4543897) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O Show InChI InChI=1S/C21H24N4O/c1-3-14(4-2)11-25-20-17-10-15(16-6-5-9-23-12-16)7-8-19(17)24-13-18(20)21(22)26/h5-10,12-14H,3-4,11H2,1-2H3,(H2,22,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	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 BindingDB Entry DOI: 10.7270/Q2NV9NR8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50535969 (CHEMBL4543897) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O Show InChI InChI=1S/C21H24N4O/c1-3-14(4-2)11-25-20-17-10-15(16-6-5-9-23-12-16)7-8-19(17)24-13-18(20)21(22)26/h5-10,12-14H,3-4,11H2,1-2H3,(H2,22,26)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	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 BindingDB Entry DOI: 10.7270/Q2NV9NR8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50535969 (CHEMBL4543897) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O Show InChI InChI=1S/C21H24N4O/c1-3-14(4-2)11-25-20-17-10-15(16-6-5-9-23-12-16)7-8-19(17)24-13-18(20)21(22)26/h5-10,12-14H,3-4,11H2,1-2H3,(H2,22,26)(H,24,25)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.10E+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 BindingDB Entry DOI: 10.7270/Q2NV9NR8
					More data for this Ligand-Target Pair