BDBM50107248 CHEMBL3600781

SMILES: O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCOCC3)sc2c1

InChI Key: InChIKey=FEUPFWSRAMSZRO-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 = 50107248   

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))	BDBM50107248 (CHEMBL3600781) Show SMILES O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCOCC3)sc2c1 Show InChI InChI=1S/C22H25N3O2S/c26-21-12-18(5-8-25(21)14-16-1-2-16)17-3-4-19-20(11-17)28-22(24-19)23-13-15-6-9-27-10-7-15/h3-5,8,11-12,15-16H,1-2,6-7,9-10,13-14H2,(H,23,24)	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	<2.00E+5	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))	BDBM50107248 (CHEMBL3600781) Show SMILES O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCOCC3)sc2c1 Show InChI InChI=1S/C22H25N3O2S/c26-21-12-18(5-8-25(21)14-16-1-2-16)17-3-4-19-20(11-17)28-22(24-19)23-13-15-6-9-27-10-7-15/h3-5,8,11-12,15-16H,1-2,6-7,9-10,13-14H2,(H,23,24)	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	1.58E+4	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))	BDBM50107248 (CHEMBL3600781) Show SMILES O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCOCC3)sc2c1 Show InChI InChI=1S/C22H25N3O2S/c26-21-12-18(5-8-25(21)14-16-1-2-16)17-3-4-19-20(11-17)28-22(24-19)23-13-15-6-9-27-10-7-15/h3-5,8,11-12,15-16H,1-2,6-7,9-10,13-14H2,(H,23,24)	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	1.00E+5	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))	BDBM50107248 (CHEMBL3600781) Show SMILES O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCOCC3)sc2c1 Show InChI InChI=1S/C22H25N3O2S/c26-21-12-18(5-8-25(21)14-16-1-2-16)17-3-4-19-20(11-17)28-22(24-19)23-13-15-6-9-27-10-7-15/h3-5,8,11-12,15-16H,1-2,6-7,9-10,13-14H2,(H,23,24)	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	<2.00E+5	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))	BDBM50107248 (CHEMBL3600781) Show SMILES O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCOCC3)sc2c1 Show InChI InChI=1S/C22H25N3O2S/c26-21-12-18(5-8-25(21)14-16-1-2-16)17-3-4-19-20(11-17)28-22(24-19)23-13-15-6-9-27-10-7-15/h3-5,8,11-12,15-16H,1-2,6-7,9-10,13-14H2,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	398	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 (PI4KA) (Homo sapiens (Human))	BDBM50107248 (CHEMBL3600781) Show SMILES O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCOCC3)sc2c1 Show InChI InChI=1S/C22H25N3O2S/c26-21-12-18(5-8-25(21)14-16-1-2-16)17-3-4-19-20(11-17)28-22(24-19)23-13-15-6-9-27-10-7-15/h3-5,8,11-12,15-16H,1-2,6-7,9-10,13-14H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	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))	BDBM50107248 (CHEMBL3600781) Show SMILES O=c1cc(ccn1CC1CC1)-c1ccc2nc(NCC3CCOCC3)sc2c1 Show InChI InChI=1S/C22H25N3O2S/c26-21-12-18(5-8-25(21)14-16-1-2-16)17-3-4-19-20(11-17)28-22(24-19)23-13-15-6-9-27-10-7-15/h3-5,8,11-12,15-16H,1-2,6-7,9-10,13-14H2,(H,23,24)	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