Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50026208'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50026208 (CHEMBL1276193) Show SMILES [H][C@]12CN(c3cc(F)c(c(F)c3)-c3ccnc4c(c(nn34)-c3ccncc3)-c3cccc4[nH]ncc34)[C@]([H])(CN1CC)C2 |r,wU:36.42,1.0,(-2.84,3.86,;-3.92,2.75,;-3.91,1.21,;-5.25,.44,;-5.24,-1.09,;-6.58,-1.88,;-6.57,-3.41,;-7.9,-4.19,;-5.23,-4.18,;-3.9,-3.4,;-2.56,-4.17,;-3.9,-1.86,;-5.22,-5.71,;-6.55,-6.48,;-6.55,-8.03,;-5.22,-8.8,;-3.89,-8.03,;-2.41,-8.51,;-1.5,-7.25,;-2.41,-6,;-3.89,-6.48,;.04,-7.25,;.81,-8.59,;2.35,-8.59,;3.12,-7.25,;2.34,-5.91,;.8,-5.92,;-1.93,-9.97,;-.43,-10.29,;.05,-11.75,;-.98,-12.9,;-2.49,-12.58,;-3.74,-13.48,;-4.98,-12.57,;-4.5,-11.11,;-2.96,-11.12,;-6.58,1.2,;-8.13,1.2,;-6.59,2.74,;-5.26,3.52,;-5.27,5.06,;-3.94,5.84,;-5.5,2.3,)| 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