BDBM50147676 CHEMBL3763878

SMILES: O=c1nc(oc2c(cccc12)-c1cc2ccccc2s1)N1CCOCC1

InChI Key: InChIKey=GRUKVISAMVIBMY-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 = 50147676   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50147676 (CHEMBL3763878) Show SMILES O=c1nc(oc2c(cccc12)-c1cc2ccccc2s1)N1CCOCC1 Show InChI InChI=1S/C20H16N2O3S/c23-19-15-6-3-5-14(17-12-13-4-1-2-7-16(13)26-17)18(15)25-20(21-19)22-8-10-24-11-9-22/h1-7,12H,8-11H2	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	1.00E+4	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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50147676 (CHEMBL3763878) Show SMILES O=c1nc(oc2c(cccc12)-c1cc2ccccc2s1)N1CCOCC1 Show InChI InChI=1S/C20H16N2O3S/c23-19-15-6-3-5-14(17-12-13-4-1-2-7-16(13)26-17)18(15)25-20(21-19)22-8-10-24-11-9-22/h1-7,12H,8-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.12E+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 delta isoform (Homo sapiens (Human))	BDBM50147676 (CHEMBL3763878) Show SMILES O=c1nc(oc2c(cccc12)-c1cc2ccccc2s1)N1CCOCC1 Show InChI InChI=1S/C20H16N2O3S/c23-19-15-6-3-5-14(17-12-13-4-1-2-7-16(13)26-17)18(15)25-20(21-19)22-8-10-24-11-9-22/h1-7,12H,8-11H2	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	3.70E+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