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BDBM50191168 (2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one::CHEMBL215299

SMILES: C[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1

InChI Key: InChIKey=FXXJNNWOYBQHCC-BBRMVZONSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50191168   
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))
BDBM50191168
PNG
((2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperid...)
Show SMILES C[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN3O/c1-13(20-12-14-5-7-15(18)8-6-14)11-16(19)17(22)21-9-3-2-4-10-21/h5-8,13,16,20H,2-4,9-12,19H2,1H3/t13-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.620n/an/an/an/an/an/a



Laboratory of Medicinal Chemistry University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2


Bioorg Med Chem Lett 16: 4777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.082
BindingDB Entry DOI: 10.7270/Q2GM86XS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50191168
PNG
((2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperid...)
Show SMILES C[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN3O/c1-13(20-12-14-5-7-15(18)8-6-14)11-16(19)17(22)21-9-3-2-4-10-21/h5-8,13,16,20H,2-4,9-12,19H2,1H3/t13-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.25E+5n/an/an/an/an/an/a



Laboratory of Medicinal Chemistry University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 16: 4777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.082
BindingDB Entry DOI: 10.7270/Q2GM86XS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50191168
PNG
((2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperid...)
Show SMILES C[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN3O/c1-13(20-12-14-5-7-15(18)8-6-14)11-16(19)17(22)21-9-3-2-4-10-21/h5-8,13,16,20H,2-4,9-12,19H2,1H3/t13-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.48E+5n/an/an/an/an/an/a



Laboratory of Medicinal Chemistry University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 16: 4777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.082
BindingDB Entry DOI: 10.7270/Q2GM86XS
More data for this
Ligand-Target Pair