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BDBM50129926 CHEMBL92021::Cyclohexanecarboxylic acid {4-[2-(2-cyano-pyrrolidin-1-yl)-2-oxo-ethylamino]-cyclohexyl}-amide

SMILES: O=C(CNC1CC[C@@H](CC1)NC(=O)C1CCCCC1)N1CCC[C@H]1C#N

InChI Key: InChIKey=XBABBJDZXQQCAZ-FQECFTEESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50129926   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50129926
PNG
(CHEMBL92021 | Cyclohexanecarboxylic acid {4-[2-(2-...)
Show SMILES O=C(CNC1CC[C@@H](CC1)NC(=O)C1CCCCC1)N1CCC[C@H]1C#N |wD:7.10,23.26,(-.06,4.36,;.26,2.86,;-.88,1.81,;-2.35,2.29,;-3.49,1.25,;-3.49,-.29,;-4.82,-1.06,;-6.14,-.29,;-6.14,1.25,;-4.82,2.02,;-7.48,-1.06,;-7.51,-2.6,;-6.16,-3.37,;-8.84,-3.36,;-8.84,-4.88,;-10.19,-5.65,;-11.49,-4.86,;-11.49,-3.32,;-10.17,-2.57,;1.73,2.38,;2.22,.9,;3.76,.9,;4.25,2.38,;2.99,3.28,;3.74,4.64,;4.51,5.99,)|
Show InChI InChI=1S/C20H32N4O2/c21-13-18-7-4-12-24(18)19(25)14-22-16-8-10-17(11-9-16)23-20(26)15-5-2-1-3-6-15/h15-18,22H,1-12,14H2,(H,23,26)/t16?,17-,18-/m0/s1
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Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells

J Med Chem 46: 2774-89 (2003)


Article DOI: 10.1021/jm030091l
BindingDB Entry DOI: 10.7270/Q20001HR
More data for this
Ligand-Target Pair