Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50481440'   

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))	BDBM50481440 (CHEMBL5271555) Show SMILES OC(=O)COc1c2cccc1sc1cccc(sc3cccc(sc4cccc(s2)c4O)c3OCC(O)=O)c1O Show InChI InChI=1S/C28H20O8S4/c29-23(30)13-35-27-19-9-3-11-21(27)39-17-7-2-8-18(26(17)34)40-22-12-4-10-20(28(22)36-14-24(31)32)38-16-6-1-5-15(37-19)25(16)33/h1-12,33-34H,13-14H2,(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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