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BDBM50168268 (S)-1-[(S)-2-Amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyryl]-pyrrolidine-2-carbonitrile::CHEMBL369883

SMILES: COc1cc2CCN(Cc2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=IXTYKLRDJPLWOX-HOTGVXAUSA-N

Data: 3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50168268   
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))
BDBM50168268
PNG
((S)-1-[(S)-2-Amino-4-(6,7-dimethoxy-3,4-dihydro-1H...)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H26N4O4/c1-27-17-8-13-5-7-23(12-14(13)9-18(17)28-2)19(25)10-16(22)20(26)24-6-3-4-15(24)11-21/h8-9,15-16H,3-7,10,12,22H2,1-2H3/t15-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.13E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against DPP-II [Quiescent cell proline dipeptidase] or DPP-VII


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 VIII


(Homo sapiens (human))
BDBM50168268
PNG
((S)-1-[(S)-2-Amino-4-(6,7-dimethoxy-3,4-dihydro-1H...)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H26N4O4/c1-27-17-8-13-5-7-23(12-14(13)9-18(17)28-2)19(25)10-16(22)20(26)24-6-3-4-15(24)11-21/h8-9,15-16H,3-7,10,12,22H2,1-2H3/t15-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 19n/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 (DPP4)


(Homo sapiens (human))
BDBM50168268
PNG
((S)-1-[(S)-2-Amino-4-(6,7-dimethoxy-3,4-dihydro-1H...)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H26N4O4/c1-27-17-8-13-5-7-23(12-14(13)9-18(17)28-2)19(25)10-16(22)20(26)24-6-3-4-15(24)11-21/h8-9,15-16H,3-7,10,12,22H2,1-2H3/t15-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 63n/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