BDBM50357668 CHEMBL1914731

SMILES: Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(NCC3CCCCC3)nc2c1

InChI Key: InChIKey=CFKJAZFCOSGTBJ-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50357668   

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))	BDBM50357668 (CHEMBL1914731) Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(NCC3CCCCC3)nc2c1 Show InChI InChI=1S/C26H25ClFN5O2S/c27-26-24(33-36(34,35)21-9-7-20(28)8-10-21)13-19(15-31-26)18-6-11-22-23(12-18)32-25(16-29-22)30-14-17-4-2-1-3-5-17/h6-13,15-17,33H,1-5,14H2,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...				J Med Chem 54: 4735-51 (2011) Article DOI: 10.1021/jm200386s BindingDB Entry DOI: 10.7270/Q2FB53C5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50357668 (CHEMBL1914731) Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(NCC3CCCCC3)nc2c1 Show InChI InChI=1S/C26H25ClFN5O2S/c27-26-24(33-36(34,35)21-9-7-20(28)8-10-21)13-19(15-31-26)18-6-11-22-23(12-18)32-25(16-29-22)30-14-17-4-2-1-3-5-17/h6-13,15-17,33H,1-5,14H2,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	281	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells				J Med Chem 54: 4735-51 (2011) Article DOI: 10.1021/jm200386s BindingDB Entry DOI: 10.7270/Q2FB53C5
					More data for this Ligand-Target Pair