Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50451033'   

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))	BDBM50451033 (CHEMBL4202658) Show SMILES CNC(=O)c1cc(Oc2ccc(cc2)C2CC(=NN2)c2ccc(cc2)[N+]([O-])=O)ccn1 |c:17| Show InChI InChI=1S/C22H19N5O4/c1-23-22(28)21-12-18(10-11-24-21)31-17-8-4-15(5-9-17)20-13-19(25-26-20)14-2-6-16(7-3-14)27(29)30/h2-12,20,26H,13H2,1H3,(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of BRAF (unknown origin) incubated for 10 mins using FAM-labeled peptide and ATP by mobility shift assay				Bioorg Med Chem 25: 5754-5763 (2017) Article DOI: 10.1016/j.bmc.2017.09.003 BindingDB Entry DOI: 10.7270/Q2057JGW
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