BDBM50089301 CHEMBL3577923

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)s1)-c1cc2c(ncnc2s1)-c1ccncc1

InChI Key: InChIKey=PVRCMSRKSNSFMD-UHFFFAOYSA-N

Data: 2 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 = 50089301   

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))	BDBM50089301 (CHEMBL3577923) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)s1)-c1cc2c(ncnc2s1)-c1ccncc1 Show InChI InChI=1S/C21H14ClN5O3S3/c1-30-20-15(27-33(28,29)18-3-2-17(22)32-18)8-13(10-24-20)16-9-14-19(12-4-6-23-7-5-12)25-11-26-21(14)31-16/h2-11,27H,1H3	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
PKUCare Pharmaceutical R&D Center Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate after 1 hr by luciferase-based luminescence assay				ACS Med Chem Lett 6: 434-8 (2015) Article DOI: 10.1021/ml5005014 BindingDB Entry DOI: 10.7270/Q29Z96M1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50089301 (CHEMBL3577923) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)s1)-c1cc2c(ncnc2s1)-c1ccncc1 Show InChI InChI=1S/C21H14ClN5O3S3/c1-30-20-15(27-33(28,29)18-3-2-17(22)32-18)8-13(10-24-20)16-9-14-19(12-4-6-23-7-5-12)25-11-26-21(14)31-16/h2-11,27H,1H3	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	68	n/a	n/a	n/a	n/a	n/a	n/a
PKUCare Pharmaceutical R&D Center Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin) using GFP-4E-BP1 as substrate after 1 hr by TR-FRET assay				ACS Med Chem Lett 6: 434-8 (2015) Article DOI: 10.1021/ml5005014 BindingDB Entry DOI: 10.7270/Q29Z96M1
					More data for this Ligand-Target Pair