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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endoplasmin' and Ligand = 'BDBM50087454'   
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
Endoplasmin


(Homo sapiens (Human))		BDBM50087454
PNG
(CHEMBL3426741)
Show SMILES Nc1ncnc2n(CCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12
Show InChI InChI=1S/C15H11Cl2N5S/c1-2-3-4-22-14-12(13(18)19-8-20-14)21-15(22)23-11-6-9(16)5-10(17)7-11/h1,5-8H,3-4H2,(H2,18,19,20)
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Article
PubMed
n/an/a 287n/an/an/an/an/an/a



Sloan-Kettering

Curated by ChEMBL


Assay Description
Displacement of Cy3B-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay

J Med Chem 58: 3922-43 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00197
BindingDB Entry DOI: 10.7270/Q2CC12DD
More data for this
Ligand-Target Pair