BDBM50484244 CHEMBL1822253

SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OCC4CCC4)c3c2)c1F

InChI Key: InChIKey=CWWURTQPKPEYNF-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 = 50484244   

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))	BDBM50484244 (CHEMBL1822253) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OCC4CCC4)c3c2)c1F Show InChI InChI=1S/C21H23F2N5O4S/c1-2-8-33(30,31)28-16-7-6-15(22)17(18(16)23)20(29)25-13-9-14-19(24-10-13)26-27-21(14)32-11-12-4-3-5-12/h6-7,9-10,12,28H,2-5,8,11H2,1H3,(H,25,29)(H,24,26,27)	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	3.5	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