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BDBM12463 (1R,S)-(2E)-2-[2-(1-Adamantylamino)-1-fluoroethylidene]cyclopentanecarbonitrile::(2E)-2-[2-(adamantan-1-ylamino)-1-fluoroethylidene]cyclopentane-1-carbonitrile::11.7b/2::Fluoro-Olefin Analogue 45

SMILES: F\C(CNC12CC3CC(CC(C3)C1)C2)=C1/CCCC1C#N

InChI Key: InChIKey=JEDUEOGDJJUJOB-WUKNDPDINA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 12463   
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 2 (DPP II)


(Homo sapiens (Human))
BDBM12463
PNG
((1R,S)-(2E)-2-[2-(1-Adamantylamino)-1-fluoroethyli...)
Show SMILES F\C(CNC12CC3CC(CC(C3)C1)C2)=C1/CCCC1C#N
Show InChI InChI=1/C18H25FN2/c19-17(16-3-1-2-15(16)10-20)11-21-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-15,21H,1-9,11H2/b17-16+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12463
PNG
((1R,S)-(2E)-2-[2-(1-Adamantylamino)-1-fluoroethyli...)
Show SMILES F\C(CNC12CC3CC(CC(C3)C1)C2)=C1/CCCC1C#N
Show InChI InChI=1/C18H25FN2/c19-17(16-3-1-2-15(16)10-20)11-21-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-15,21H,1-9,11H2/b17-16+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair