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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase A' and Ligand = 'BDBM50087857'   
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
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50087857
PNG
(1-(2-{2-[3-(3H-Imidazol-4-yl)-2-(3-methyl-butyryla...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(C)(C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C35H52N8O6/c1-7-23(4)30(33(48)37-18-24-12-9-8-10-13-24)41-32(47)27-14-11-15-43(27)29(45)20-38-34(49)35(5,6)42-31(46)26(17-25-19-36-21-39-25)40-28(44)16-22(2)3/h8-10,12-13,19,21-23,26-27,30H,7,11,14-18,20H2,1-6H3,(H,36,39)(H,37,48)(H,38,49)(H,40,44)(H,41,47)(H,42,46)/t23-,26-,27-,30-/m0/s1
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PubMed
n/an/a>1.00E+7n/an/an/an/an/an/a



D�partement D'Ing�nierie et D'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
50% inhibitory concentration of competitive binding against human Peptidyl-prolyl isomerase activity using uncoupled assay

J Med Chem 43: 1770-9 (2000)


BindingDB Entry DOI: 10.7270/Q2SQ9135
More data for this
Ligand-Target Pair