BDBM50179521 CHEMBL3814031

SMILES: CS(=O)(=O)Nc1cccc(Cn2c(=O)oc3cc(OC(=O)c4ccccc4)ccc3c2=O)c1F

InChI Key: InChIKey=HQMTYBQAVSAJOJ-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 = 50179521   

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))	BDBM50179521 (CHEMBL3814031) Show SMILES CS(=O)(=O)Nc1cccc(Cn2c(=O)oc3cc(OC(=O)c4ccccc4)ccc3c2=O)c1F Show InChI InChI=1S/C23H17FN2O7S/c1-34(30,31)25-18-9-5-8-15(20(18)24)13-26-21(27)17-11-10-16(12-19(17)33-23(26)29)32-22(28)14-6-3-2-4-7-14/h2-12,25H,13H2,1H3	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