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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 = 'BDBM50087873'   
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))		BDBM50087873
PNG
(1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C30H48N10O8/c1-15(2)23(37-18(5)41)28(47)38-20(11-19-12-32-14-34-19)26(45)35-17(4)25(44)33-13-22(42)40-10-8-9-21(40)27(46)39-30(6,7)29(48)36-16(3)24(31)43/h12,14-17,20-21,23H,8-11,13H2,1-7H3,(H2,31,43)(H,32,34)(H,33,44)(H,35,45)(H,36,48)(H,37,41)(H,38,47)(H,39,46)/t16-,17+,20+,21+,23+/m1/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