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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 = 'BDBM50125712'   
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


(Rattus norvegicus)		BDBM50125712
PNG
(1-(2,2-Diphenyl-ethyl)-3-{3-[3-(2,2-diphenyl-ethyl...)
Show SMILES O=C(NCC(c1ccccc1)c1ccccc1)Nc1cccc(NC(=O)NCC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C36H34N4O2/c41-35(37-25-33(27-14-5-1-6-15-27)28-16-7-2-8-17-28)39-31-22-13-23-32(24-31)40-36(42)38-26-34(29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-24,33-34H,25-26H2,(H2,37,39,41)(H2,38,40,42)
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KEGG

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PC cid
PC sid
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Patents
Article
PubMed
n/an/a 4.85E+3n/an/an/an/an/an/a



Guilford Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)

J Med Chem 46: 1112-5 (2003)


Article DOI: 10.1021/jm020409u
BindingDB Entry DOI: 10.7270/Q2V1244X
More data for this
Ligand-Target Pair