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BDBM50168280 (S)-1-[(S)-2-Amino-4-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyryl]-pyrrolidine-2-carbonitrile::CHEMBL190183

SMILES: COc1cc2CCN(C(Cc3ccccc3)c2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=QLNACVPURHNJCY-XWQVQCDNSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50168280   
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))
BDBM50168280
PNG
((S)-1-[(S)-2-Amino-4-(1-benzyl-6,7-dimethoxy-3,4-d...)
Show SMILES COc1cc2CCN(C(Cc3ccccc3)c2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C27H32N4O4/c1-34-24-14-19-10-12-31(26(32)16-22(29)27(33)30-11-6-9-20(30)17-28)23(21(19)15-25(24)35-2)13-18-7-4-3-5-8-18/h3-5,7-8,14-15,20,22-23H,6,9-13,16,29H2,1-2H3/t20-,22-,23?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/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))
BDBM50168280
PNG
((S)-1-[(S)-2-Amino-4-(1-benzyl-6,7-dimethoxy-3,4-d...)
Show SMILES COc1cc2CCN(C(Cc3ccccc3)c2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C27H32N4O4/c1-34-24-14-19-10-12-31(26(32)16-22(29)27(33)30-11-6-9-20(30)17-28)23(21(19)15-25(24)35-2)13-18-7-4-3-5-8-18/h3-5,7-8,14-15,20,22-23H,6,9-13,16,29H2,1-2H3/t20-,22-,23?/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 97n/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