BDBM50107258 CHEMBL3600683

SMILES: CCOc1ccc(cn1)-c1ccc2nc(N)sc2c1

InChI Key: InChIKey=VNQBKUWYQVWGPY-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50107258   

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 gamma isoform (Homo sapiens (Human))	BDBM50107258 (CHEMBL3600683) Show SMILES CCOc1ccc(cn1)-c1ccc2nc(N)sc2c1 Show InChI InChI=1S/C14H13N3OS/c1-2-18-13-6-4-10(8-16-13)9-3-5-11-12(7-9)19-14(15)17-11/h3-8H,2H2,1H3,(H2,15,17)	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) pre-incubated for 20 mins before phosphatidylinositol 4, 5-bisphosphate substrate addition by kinase-glo plu...				Bioorg Med Chem Lett 25: 3189-93 (2015) BindingDB Entry DOI: 10.7270/Q2KK9DKR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50107258 (CHEMBL3600683) Show SMILES CCOc1ccc(cn1)-c1ccc2nc(N)sc2c1 Show InChI InChI=1S/C14H13N3OS/c1-2-18-13-6-4-10(8-16-13)9-3-5-11-12(7-9)19-14(15)17-11/h3-8H,2H2,1H3,(H2,15,17)	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	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) pre-incubated for 20 mins before phosphatidylinositol 4, 5-bisphosphate substrate addition by kinase-glo plu...				Bioorg Med Chem Lett 25: 3189-93 (2015) BindingDB Entry DOI: 10.7270/Q2KK9DKR
					More data for this Ligand-Target Pair
Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma (Homo sapiens (Human))	BDBM50107258 (CHEMBL3600683) Show SMILES CCOc1ccc(cn1)-c1ccc2nc(N)sc2c1 Show InChI InChI=1S/C14H13N3OS/c1-2-18-13-6-4-10(8-16-13)9-3-5-11-12(7-9)19-14(15)17-11/h3-8H,2H2,1H3,(H2,15,17)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PIP5K1C (unknown origin) using D-myo-phosphatidylinositol 4-phosphate substrate and ATP by ADP-Glo kinase Assay				Bioorg Med Chem Lett 25: 3189-93 (2015) BindingDB Entry DOI: 10.7270/Q2KK9DKR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50107258 (CHEMBL3600683) Show SMILES CCOc1ccc(cn1)-c1ccc2nc(N)sc2c1 Show InChI InChI=1S/C14H13N3OS/c1-2-18-13-6-4-10(8-16-13)9-3-5-11-12(7-9)19-14(15)17-11/h3-8H,2H2,1H3,(H2,15,17)	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	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) pre-incubated for 20 mins before phosphatidylinositol 4, 5-bisphosphate substrate addition by kinase-glo plus...				Bioorg Med Chem Lett 25: 3189-93 (2015) BindingDB Entry DOI: 10.7270/Q2KK9DKR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA) (Homo sapiens (Human))	BDBM50107258 (CHEMBL3600683) Show SMILES CCOc1ccc(cn1)-c1ccc2nc(N)sc2c1 Show InChI InChI=1S/C14H13N3OS/c1-2-18-13-6-4-10(8-16-13)9-3-5-11-12(7-9)19-14(15)17-11/h3-8H,2H2,1H3,(H2,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 min...				Bioorg Med Chem Lett 25: 3189-93 (2015) BindingDB Entry DOI: 10.7270/Q2KK9DKR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50107258 (CHEMBL3600683) Show SMILES CCOc1ccc(cn1)-c1ccc2nc(N)sc2c1 Show InChI InChI=1S/C14H13N3OS/c1-2-18-13-6-4-10(8-16-13)9-3-5-11-12(7-9)19-14(15)17-11/h3-8H,2H2,1H3,(H2,15,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human full length recombinant PI4K3beta expressed in Sf9 cells using D-myo-phosphatidylinositol substrate and ATP...				Bioorg Med Chem Lett 25: 3189-93 (2015) BindingDB Entry DOI: 10.7270/Q2KK9DKR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50107258 (CHEMBL3600683) Show SMILES CCOc1ccc(cn1)-c1ccc2nc(N)sc2c1 Show InChI InChI=1S/C14H13N3OS/c1-2-18-13-6-4-10(8-16-13)9-3-5-11-12(7-9)19-14(15)17-11/h3-8H,2H2,1H3,(H2,15,17)	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	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) pre-incubated for 20 mins before phosphatidylinositol 4, 5-bisphosphate substrate addition by kinase-glo plu...				Bioorg Med Chem Lett 25: 3189-93 (2015) BindingDB Entry DOI: 10.7270/Q2KK9DKR
					More data for this Ligand-Target Pair