BDBM50179759 CHEMBL3814609

SMILES: CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(N)(=O)=O)c1F)c2=O

InChI Key: InChIKey=JFGVFSHQBGUZOT-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 = 50179759   

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))	BDBM50179759 (CHEMBL3814609) Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(N)(=O)=O)c1F)c2=O Show InChI InChI=1S/C18H17FN4O7S/c1-22(2)17(25)29-11-6-7-12-14(8-11)30-18(26)23(16(12)24)9-10-4-3-5-13(15(10)19)21-31(20,27)28/h3-8,21H,9H2,1-2H3,(H2,20,27,28)	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	840	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