Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50303099'   

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))	BDBM50303099 (3-(4-chloro-3-methoxyphenyl)-7-(8-ethyl-8-azabicyc...) Show SMILES CCN1C2CCC1CC(C2)c1ccnc2c(c(nn12)-c1ccncc1)-c1ccc(Cl)c(OC)c1 |THB:10:8:2:4.5| Show InChI InChI=1S/C27H28ClN5O/c1-3-32-20-5-6-21(32)15-19(14-20)23-10-13-30-27-25(18-4-7-22(28)24(16-18)34-2)26(31-33(23)27)17-8-11-29-12-9-17/h4,7-13,16,19-21H,3,5-6,14-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of B-Raf				Bioorg Med Chem Lett 19: 6957-61 (2009) Article DOI: 10.1016/j.bmcl.2009.10.058 BindingDB Entry DOI: 10.7270/Q2833S34
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