BDBM50484202 CHEMBL1822089

SMILES: COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cc12

InChI Key: InChIKey=HIGLLCZSJYDPOR-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 = 50484202   

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))	BDBM50484202 (CHEMBL1822089) Show SMILES COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cc12 Show InChI InChI=1S/C17H16F3N5O4S/c1-29-17-10-7-9(8-21-15(10)23-24-17)22-16(26)13-11(19)3-4-12(14(13)20)25-30(27,28)6-2-5-18/h3-4,7-8,25H,2,5-6H2,1H3,(H,22,26)(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
ArrayBioPharma Curated by ChEMBL					Assay Description Inhibition of full length B-Raf V600E mutant				Bioorg Med Chem Lett 21: 5533-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.097 BindingDB Entry DOI: 10.7270/Q28K7CX8
					More data for this Ligand-Target Pair