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BDBM50168265 (S)-1-[(S)-2-Amino-4-(1-tert-butyl-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyryl]-pyrrolidine-2-carbonitrile::CHEMBL193202

SMILES: COc1ccc2C(N(CCc2c1)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N)C(C)(C)C

InChI Key: InChIKey=VTZJPMVHYRFJCD-ZRAKIVDLSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50168265   
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 VIII


(Homo sapiens (human))
BDBM50168265
PNG
((S)-1-[(S)-2-Amino-4-(1-tert-butyl-6-methoxy-3,4-d...)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N)C(C)(C)C
Show InChI InChI=1S/C23H32N4O3/c1-23(2,3)21-18-8-7-17(30-4)12-15(18)9-11-27(21)20(28)13-19(25)22(29)26-10-5-6-16(26)14-24/h7-8,12,16,19,21H,5-6,9-11,13,25H2,1-4H3/t16-,19-,21?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.44E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase 8


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (human))
BDBM50168265
PNG
((S)-1-[(S)-2-Amino-4-(1-tert-butyl-6-methoxy-3,4-d...)
Show SMILES COc1ccc2C(N(CCc2c1)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N)C(C)(C)C
Show InChI InChI=1S/C23H32N4O3/c1-23(2,3)21-18-8-7-17(30-4)12-15(18)9-11-27(21)20(28)13-19(25)22(29)26-10-5-6-16(26)14-24/h7-8,12,16,19,21H,5-6,9-11,13,25H2,1-4H3/t16-,19-,21?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair