BDBM50484260 CHEMBL1822254

SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OCC4COC4)c3c2)c1F

InChI Key: InChIKey=APTNUPITDYQLOH-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 = 50484260   

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))	BDBM50484260 (CHEMBL1822254) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OCC4COC4)c3c2)c1F Show InChI InChI=1S/C20H21F2N5O5S/c1-2-5-33(29,30)27-15-4-3-14(21)16(17(15)22)19(28)24-12-6-13-18(23-7-12)25-26-20(13)32-10-11-8-31-9-11/h3-4,6-7,11,27H,2,5,8-10H2,1H3,(H,24,28)(H,23,25,26)	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	4.20	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