BDBM50006653 CHEMBL497671

SMILES: O\N=C1/CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCOCC1

InChI Key: InChIKey=RZCDDUDKDKUXLC-NJNXFGOHSA-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 = 50006653   

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))	BDBM50006653 (CHEMBL497671) Show SMILES O\N=C1/CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCOCC1 Show InChI InChI=1S/C22H22N4O2/c27-25-21-4-2-16-13-17(1-3-19(16)21)20-14-26(18-7-11-28-12-8-18)24-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,27H,2,4,7-8,11-12H2/b25-21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of BRAF (unknown origin)				Eur J Med Chem 72: 170-205 (2014) Article DOI: 10.1016/j.ejmech.2013.11.018 BindingDB Entry DOI: 10.7270/Q2F1917Z
					More data for this Ligand-Target Pair