Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endoplasmin' and Ligand = 'BDBM210943'   

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
Endoplasmin (Homo sapiens (Human))	BDBM210943 (4-(2-(2-chlorophenyl)-1H-pyrrol-1-yl)-2-(((1r,4r)-...) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-n1cccc1-c1ccccc1Cl |(2.67,4.62,;1.33,3.85,;,4.62,;1.33,2.31,;,1.54,;;1.33,-.77,;2.67,,;2.67,1.54,;4,2.31,;5.33,1.54,;6.67,2.31,;8,1.54,;8,,;9.34,-.77,;6.67,-.77,;5.33,,;1.33,-2.31,;2.58,-3.22,;2.1,-4.68,;.56,-4.68,;.09,-3.22,;-1.38,-2.74,;-1.7,-1.23,;-3.16,-.76,;-4.31,-1.79,;-3.99,-3.29,;-2.52,-3.77,;-2.2,-5.28,)| Show InChI InChI=1S/C23H24ClN3O2/c24-20-5-2-1-4-18(20)22-6-3-13-27(22)16-9-12-19(23(25)29)21(14-16)26-15-7-10-17(28)11-8-15/h1-6,9,12-15,17,26,28H,7-8,10-11H2,(H2,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.94E+3	n/a	n/a	n/a	7.3	n/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
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