null

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

InChI Key: InChIKey=UBSRTPHETWULEN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50535981   

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))	BDBM50535981 (CHEMBL4588822) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CO)nc1)C(N)=O Show InChI InChI=1S/C22H26N4O2/c1-3-14(4-2)10-26-21-18-9-15(16-5-7-17(13-27)24-11-16)6-8-20(18)25-12-19(21)22(23)28/h5-9,11-12,14,27H,3-4,10,13H2,1-2H3,(H2,23,28)(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50535981 (CHEMBL4588822) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CO)nc1)C(N)=O Show InChI InChI=1S/C22H26N4O2/c1-3-14(4-2)10-26-21-18-9-15(16-5-7-17(13-27)24-11-16)6-8-20(18)25-12-19(21)22(23)28/h5-9,11-12,14,27H,3-4,10,13H2,1-2H3,(H2,23,28)(H,25,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.30E+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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50535981 (CHEMBL4588822) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)-c1ccc(CO)nc1)C(N)=O Show InChI InChI=1S/C22H26N4O2/c1-3-14(4-2)10-26-21-18-9-15(16-5-7-17(13-27)24-11-16)6-8-20(18)25-12-19(21)22(23)28/h5-9,11-12,14,27H,3-4,10,13H2,1-2H3,(H2,23,28)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+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 BindingDB Entry DOI: 10.7270/Q2NV9NR8
					More data for this Ligand-Target Pair