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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 = 'BDBM50125709'   
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)		BDBM50125709
PNG
(1-{2,4-Dibromo-5-[3-(4-dimethylamino-phenyl)-ureid...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2cc(NC(=O)Nc3ccc(cc3)N(C)C)c(Br)cc2Br)cc1
Show InChI InChI=1S/C24H26Br2N6O2/c1-31(2)17-9-5-15(6-10-17)27-23(33)29-21-14-22(20(26)13-19(21)25)30-24(34)28-16-7-11-18(12-8-16)32(3)4/h5-14H,1-4H3,(H2,27,29,33)(H2,28,30,34)
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Article
PubMed
n/an/a 2.90E+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