BDBM50179527 CHEMBL3814868

SMILES: CNS(=O)(=O)Nc1cccc(Cn2c(=O)oc3cc(OS(C)(=O)=O)ccc3c2=O)c1F

InChI Key: InChIKey=RBQHLZJOEPCDFV-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 = 50179527   

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))	BDBM50179527 (CHEMBL3814868) Show SMILES CNS(=O)(=O)Nc1cccc(Cn2c(=O)oc3cc(OS(C)(=O)=O)ccc3c2=O)c1F Show InChI InChI=1S/C17H16FN3O8S2/c1-19-31(26,27)20-13-5-3-4-10(15(13)18)9-21-16(22)12-7-6-11(29-30(2,24)25)8-14(12)28-17(21)23/h3-8,19-20H,9H2,1-2H3	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	2.54E+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