BDBM50179522 CHEMBL3814289

SMILES: COc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(=O)(=O)NCCC#N)c1F)c2=O

InChI Key: InChIKey=AYAZLPMZEOHROO-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50179522   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50179522 (CHEMBL3814289) Show SMILES COc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(=O)(=O)NCCC#N)c1F)c2=O Show InChI InChI=1S/C19H17FN4O6S/c1-29-13-6-7-14-16(10-13)30-19(26)24(18(14)25)11-12-4-2-5-15(17(12)20)23-31(27,28)22-9-3-8-21/h2,4-7,10,22-23H,3,9,11H2,1H3	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
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay				Bioorg Med Chem 24: 3472-82 (2016) BindingDB Entry DOI: 10.7270/Q251415P
					More data for this Ligand-Target Pair