BDBM50447087 CHEMBL3112851

SMILES: Cc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1

InChI Key: InChIKey=XJNOEUSVGFJGLV-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50447087   

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50447087 (CHEMBL3112851) Show SMILES Cc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-3-2-4-15-14(13)5-6-23(15)19(25)11-16-20-17(12-18(24)21-16)22-7-9-26-10-8-22/h2-4,12H,5-11H2,1H3,(H,20,21,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description This test is based on measuring the expression of the AKT protein phosphorylated on serine 473 (P-AKT-S473), in the PC3 human prostate carcinoma line...				US Patent US8993565 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9V9P
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447087 (CHEMBL3112851) Show SMILES Cc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-3-2-4-15-14(13)5-6-23(15)19(25)11-16-20-17(12-18(24)21-16)22-7-9-26-10-8-22/h2-4,12H,5-11H2,1H3,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447087 (CHEMBL3112851) Show SMILES Cc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-3-2-4-15-14(13)5-6-23(15)19(25)11-16-20-17(12-18(24)21-16)22-7-9-26-10-8-22/h2-4,12H,5-11H2,1H3,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50447087 (CHEMBL3112851) Show SMILES Cc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-3-2-4-15-14(13)5-6-23(15)19(25)11-16-20-17(12-18(24)21-16)22-7-9-26-10-8-22/h2-4,12H,5-11H2,1H3,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kalpha expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50447087 (CHEMBL3112851) Show SMILES Cc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-3-2-4-15-14(13)5-6-23(15)19(25)11-16-20-17(12-18(24)21-16)22-7-9-26-10-8-22/h2-4,12H,5-11H2,1H3,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50447087 (CHEMBL3112851) Show SMILES Cc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-3-2-4-15-14(13)5-6-23(15)19(25)11-16-20-17(12-18(24)21-16)22-7-9-26-10-8-22/h2-4,12H,5-11H2,1H3,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of C-terminal ploy-His-tagged human PI3Kgamma expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair