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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 = 'BDBM50125708'   
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)		BDBM50125708
PNG
(1-(3,5-Dichloro-phenyl)-3-{3-[3-(3,5-dichloro-phen...)
Show SMILES Clc1cc(Cl)cc(NC(=S)Nc2cccc(NC(=S)Nc3cc(Cl)cc(Cl)c3)c2)c1
Show InChI InChI=1S/C20H14Cl4N4S2/c21-11-4-12(22)7-17(6-11)27-19(29)25-15-2-1-3-16(10-15)26-20(30)28-18-8-13(23)5-14(24)9-18/h1-10H,(H2,25,27,29)(H2,26,28,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 480n/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