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BDBM50191170 (2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)hexan-1-one::CHEMBL215244

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

InChI Key: InChIKey=JNNGCIXRTQNRGM-IRXDYDNUSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50191170   
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))
BDBM50191170
PNG
((2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperid...)
Show SMILES CC[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C18H28ClN3O/c1-2-16(21-13-14-6-8-15(19)9-7-14)12-17(20)18(23)22-10-4-3-5-11-22/h6-9,16-17,21H,2-5,10-13,20H2,1H3/t16-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.40n/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))
BDBM50191170
PNG
((2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperid...)
Show SMILES CC[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C18H28ClN3O/c1-2-16(21-13-14-6-8-15(19)9-7-14)12-17(20)18(23)22-10-4-3-5-11-22/h6-9,16-17,21H,2-5,10-13,20H2,1H3/t16-,17-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+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))
BDBM50191170
PNG
((2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperid...)
Show SMILES CC[C@@H](C[C@H](N)C(=O)N1CCCCC1)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C18H28ClN3O/c1-2-16(21-13-14-6-8-15(19)9-7-14)12-17(20)18(23)22-10-4-3-5-11-22/h6-9,16-17,21H,2-5,10-13,20H2,1H3/t16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+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