Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50507706'   

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))	BDBM50507706 (CHEMBL4518466) Show SMILES CN1CCC(COc2ccc(NC(=O)c3ccc(C)c(NC(=O)C(C)(C)c4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C32H35F3N6O3/c1-19-5-6-21(15-25(19)40-30(43)31(2,3)27-23-9-12-36-28(23)38-18-37-27)29(42)39-22-7-8-26(24(16-22)32(33,34)35)44-17-20-10-13-41(4)14-11-20/h5-9,12,15-16,18,20H,10-11,13-14,17H2,1-4H3,(H,39,42)(H,40,43)(H,36,37,38)	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	44	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for ...				Eur J Med Chem 163: 243-255 (2019) Article DOI: 10.1016/j.ejmech.2018.11.033 BindingDB Entry DOI: 10.7270/Q24B34M5
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