BDBM50026206 CHEMBL1276195

SMILES: [H][C@]12CN(c3cc(F)c(c(F)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3cccc4[nH]ncc34)[C@]([H])(CN1CC(C)C)C2

InChI Key:

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 = 50026206   

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))	BDBM50026206 (CHEMBL1276195) Show SMILES [H][C@]12CN(c3cc(F)c(c(F)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3cccc4[nH]ncc34)[C@]([H])(CN1CC(C)C)C2 |r,wU:36.42,1.0,(21.41,.41,;20.33,-.69,;20.34,-2.23,;19,-3.01,;19.01,-4.54,;17.67,-5.32,;17.69,-6.86,;16.35,-7.64,;19.02,-7.62,;20.35,-6.85,;21.69,-7.62,;20.35,-5.31,;19.03,-9.16,;17.7,-9.93,;17.7,-11.48,;19.03,-12.25,;20.37,-11.47,;21.84,-11.95,;22.75,-10.7,;21.84,-9.44,;20.36,-9.92,;24.29,-10.69,;25.06,-12.03,;26.6,-12.03,;27.37,-10.7,;26.59,-9.36,;25.06,-9.36,;22.32,-13.42,;23.82,-13.73,;24.3,-15.19,;23.27,-16.35,;21.76,-16.03,;20.51,-16.92,;19.27,-16.01,;19.75,-14.56,;21.29,-14.56,;17.67,-2.25,;16.12,-2.25,;17.66,-.71,;18.99,.07,;18.98,1.62,;20.31,2.39,;20.31,3.93,;21.65,1.63,;18.75,-1.15,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.320	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BRAF				J Med Chem 53: 7874-8 (2010) Article DOI: 10.1021/jm1007566 BindingDB Entry DOI: 10.7270/Q2HM58Q3
					More data for this Ligand-Target Pair