BDBM50147684 CHEMBL3765105

SMILES: COc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1

InChI Key: InChIKey=XZHOMAAPWRRUNV-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 = 50147684   

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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50147684 (CHEMBL3765105) Show SMILES COc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1 Show InChI InChI=1S/C19H18N2O4/c1-23-14-7-5-13(6-8-14)15-3-2-4-16-17(15)25-19(20-18(16)22)21-9-11-24-12-10-21/h2-8H,9-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
La Trobe University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay				Eur J Med Chem 110: 326-39 (2016) BindingDB Entry DOI: 10.7270/Q2H133V6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50147684 (CHEMBL3765105) Show SMILES COc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1 Show InChI InChI=1S/C19H18N2O4/c1-23-14-7-5-13(6-8-14)15-3-2-4-16-17(15)25-19(20-18(16)22)21-9-11-24-12-10-21/h2-8H,9-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
La Trobe University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo luminescence assay				Eur J Med Chem 110: 326-39 (2016) BindingDB Entry DOI: 10.7270/Q2H133V6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50147684 (CHEMBL3765105) Show SMILES COc1ccc(cc1)-c1cccc2c1oc(nc2=O)N1CCOCC1 Show InChI InChI=1S/C19H18N2O4/c1-23-14-7-5-13(6-8-14)15-3-2-4-16-17(15)25-19(20-18(16)22)21-9-11-24-12-10-21/h2-8H,9-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
La Trobe University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay				Eur J Med Chem 110: 326-39 (2016) BindingDB Entry DOI: 10.7270/Q2H133V6
					More data for this Ligand-Target Pair