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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 FKBP1A' and Ligand = 'BDBM50113138'   
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 FKBP1A


(Homo sapiens (Human))		BDBM50113138
PNG
(1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C21H26N2O3S/c1-17-11-13-19(14-12-17)27(25,26)23-16-6-10-20(23)21(24)22-15-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-14,20H,5-6,9-10,15-16H2,1H3,(H,22,24)
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PubMed
 7.60E+3n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12

Bioorg Med Chem Lett 12: 1429-33 (2002)


BindingDB Entry DOI: 10.7270/Q23J3C9S
More data for this
Ligand-Target Pair