BDBM50179900 CHEMBL3815083

SMILES: CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1ccc(F)c(NS(C)(=O)=O)c1)c2=O

InChI Key: InChIKey=WJVHAQGOSZKKBX-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 = 50179900   

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))	BDBM50179900 (CHEMBL3815083) Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1ccc(F)c(NS(C)(=O)=O)c1)c2=O Show InChI InChI=1S/C19H18FN3O7S/c1-22(2)18(25)29-12-5-6-13-16(9-12)30-19(26)23(17(13)24)10-11-4-7-14(20)15(8-11)21-31(3,27)28/h4-9,21H,10H2,1-3H3	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	9.87E+3	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