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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endoplasmin' and Ligand = 'BDBM210957'   
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))		BDBM210957
PNG
(4-(2-(2-bromobenzyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-4...)
Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1Cc1ccccc1Br |(2.47,4.51,;3.8,3.74,;5.14,4.51,;3.8,2.2,;2.47,1.43,;2.47,-.11,;3.8,-.88,;5.14,-.11,;5.14,1.43,;6.47,2.2,;7.8,1.43,;9.14,2.2,;10.47,1.43,;10.47,-.11,;11.8,-.88,;9.14,-.88,;7.8,-.11,;3.8,-2.42,;2.56,-3.33,;3.03,-4.79,;4.57,-4.79,;5.05,-3.33,;6.51,-2.85,;7.66,-3.88,;7.34,-5.39,;8.48,-6.42,;9.95,-5.95,;10.27,-4.44,;9.12,-3.41,;9.44,-1.9,)|
Show InChI InChI=1S/C24H26BrN3O2/c25-22-6-2-1-4-16(22)14-18-5-3-13-28(18)19-9-12-21(24(26)30)23(15-19)27-17-7-10-20(29)11-8-17/h1-6,9,12-13,15,17,20,27,29H,7-8,10-11,14H2,(H2,26,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.29E+4n/an/an/a7.3n/a



The University of Kansas



Assay Description
Assay buffer (25 μL, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL−1 BGG) was added to...

ACS Chem Biol 12: 244-253 (2017)


Article DOI: 10.1021/acschembio.6b00747
BindingDB Entry DOI: 10.7270/Q20000XQ
More data for this
Ligand-Target Pair