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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50245316'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))		BDBM50245316
PNG
(CHEMBL4091362)
Show SMILES CNS(=O)(=O)c1ccc(c(Nc2cc(Nc3ccc(Cl)cn3)ncn2)c1)S(=O)(=O)C(C)(C)C
Show InChI InChI=1S/C20H23ClN6O4S2/c1-20(2,3)32(28,29)16-7-6-14(33(30,31)22-4)9-15(16)26-18-10-19(25-12-24-18)27-17-8-5-13(21)11-23-17/h5-12,22H,1-4H3,(H2,23,24,25,26,27)
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PC cid
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of full length His6-tagged BRAF (unknown origin) expressed in baculovirus expression system assessed as reduction in MEK phosphorylation b...

J Med Chem 61: 3076-3088 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00125
BindingDB Entry DOI: 10.7270/Q2Z3221C
More data for this
Ligand-Target Pair