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SMILES: Nc1nc2ccc(cc2s1)-c1cnn(c1)C1CC1

InChI Key: InChIKey=LQRDKLHMFKXYHC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50107091   

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 beta isoform (Homo sapiens (Human))	BDBM50107091 (CHEMBL3600774) Show SMILES Nc1nc2ccc(cc2s1)-c1cnn(c1)C1CC1 Show InChI InChI=1S/C13H12N4S/c14-13-16-11-4-1-8(5-12(11)18-13)9-6-15-17(7-9)10-2-3-10/h1,4-7,10H,2-3H2,(H2,14,16)	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
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 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50107091 (CHEMBL3600774) Show SMILES Nc1nc2ccc(cc2s1)-c1cnn(c1)C1CC1 Show InChI InChI=1S/C13H12N4S/c14-13-16-11-4-1-8(5-12(11)18-13)9-6-15-17(7-9)10-2-3-10/h1,4-7,10H,2-3H2,(H2,14,16)	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+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))	BDBM50107091 (CHEMBL3600774) Show SMILES Nc1nc2ccc(cc2s1)-c1cnn(c1)C1CC1 Show InChI InChI=1S/C13H12N4S/c14-13-16-11-4-1-8(5-12(11)18-13)9-6-15-17(7-9)10-2-3-10/h1,4-7,10H,2-3H2,(H2,14,16)	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	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 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50107091 (CHEMBL3600774) Show SMILES Nc1nc2ccc(cc2s1)-c1cnn(c1)C1CC1 Show InChI InChI=1S/C13H12N4S/c14-13-16-11-4-1-8(5-12(11)18-13)9-6-15-17(7-9)10-2-3-10/h1,4-7,10H,2-3H2,(H2,14,16)	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
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
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50107091 (CHEMBL3600774) Show SMILES Nc1nc2ccc(cc2s1)-c1cnn(c1)C1CC1 Show InChI InChI=1S/C13H12N4S/c14-13-16-11-4-1-8(5-12(11)18-13)9-6-15-17(7-9)10-2-3-10/h1,4-7,10H,2-3H2,(H2,14,16)	PDB UniProtKB/SwissProt 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 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-kinase alpha (Homo sapiens (Human))	BDBM50107091 (CHEMBL3600774) Show SMILES Nc1nc2ccc(cc2s1)-c1cnn(c1)C1CC1 Show InChI InChI=1S/C13H12N4S/c14-13-16-11-4-1-8(5-12(11)18-13)9-6-15-17(7-9)10-2-3-10/h1,4-7,10H,2-3H2,(H2,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.94E+3	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-phosphate 5-kinase type-1 gamma (Homo sapiens (Human))	BDBM50107091 (CHEMBL3600774) Show SMILES Nc1nc2ccc(cc2s1)-c1cnn(c1)C1CC1 Show InChI InChI=1S/C13H12N4S/c14-13-16-11-4-1-8(5-12(11)18-13)9-6-15-17(7-9)10-2-3-10/h1,4-7,10H,2-3H2,(H2,14,16)	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