Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50264719'   

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))	BDBM50264719 (CHEMBL4075036) Show SMILES CN1CCN(CCCNc2cc(ncn2)C2(CC2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C31H35ClF3N7O2/c1-20-4-5-21(28(43)39-22-6-7-24(32)23(17-22)31(33,34)35)16-25(20)40-29(44)30(8-9-30)26-18-27(38-19-37-26)36-10-3-11-42-14-12-41(2)13-15-42/h4-7,16-19H,3,8-15H2,1-2H3,(H,39,43)(H,40,44)(H,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...				Eur J Med Chem 130: 86-106 (2017) Article DOI: 10.1016/j.ejmech.2017.02.041 BindingDB Entry DOI: 10.7270/Q2DN47JG
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