Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50420795'   

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))	BDBM50420795 (CHEMBL2088027) Show SMILES Oc1ccc(O)n1-c1ccc(F)c(c1F)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c(O)c2ccccc12 |(36.55,-5.4,;36.24,-6.91,;37.27,-8.05,;36.51,-9.39,;35,-9.07,;33.87,-10.11,;34.83,-7.55,;33.49,-6.78,;32.16,-7.56,;30.83,-6.8,;30.83,-5.27,;29.5,-4.5,;32.16,-4.5,;33.48,-5.26,;34.81,-4.48,;32.16,-2.97,;30.83,-2.21,;30.82,-3.74,;33.48,-2.2,;33.48,-.67,;34.82,.11,;34.81,1.68,;36.14,2.46,;37.48,1.7,;38.88,2.34,;39.92,1.2,;39.16,-.14,;37.65,.17,;33.47,2.44,;33.46,3.97,;32.13,1.67,;30.78,2.43,;29.44,1.66,;29.44,.1,;30.78,-.68,;32.13,.11,)| Show InChI InChI=1S/C22H15F2N5O5S2/c23-13-5-6-15(29-17(30)7-8-18(29)31)19(24)21(13)36(33,34)28-14-9-16(35-22-25-10-26-27-22)20(32)12-4-2-1-3-11(12)14/h1-10,28,30-32H,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay				J Med Chem 55: 5220-30 (2012) Article DOI: 10.1021/jm3004416 BindingDB Entry DOI: 10.7270/Q2ZC8451
					More data for this Ligand-Target Pair