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BDBM50171657 2-(Bicyclo[3.2.1]oct-6-ylamino)-1-((S)-2-dihydroxymethyl-pyrrolidin-1-yl)-ethanone::CHEMBL362922

SMILES: OC(O)[C@@H]1CCCN1C(=O)CNC1CC2CC1CCC2

InChI Key: InChIKey=PVJXCUHDUBMQIG-SKQCGHHBSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50171657   
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
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50171657
PNG
(2-(Bicyclo[3.2.1]oct-6-ylamino)-1-((S)-2-dihydroxy...)
Show SMILES OC(O)[C@@H]1CCCN1C(=O)CNC1CC2CC1CCC2
Show InChI InChI=1S/C15H26N2O3/c18-14(17-6-2-5-13(17)15(19)20)9-16-12-8-10-3-1-4-11(12)7-10/h10-13,15-16,19-20H,1-9H2/t10?,11?,12?,13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human FAP using Lys-Pro-AMC in fluorometric assay


Bioorg Med Chem Lett 15: 4239-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.075
BindingDB Entry DOI: 10.7270/Q2CJ8D2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50171657
PNG
(2-(Bicyclo[3.2.1]oct-6-ylamino)-1-((S)-2-dihydroxy...)
Show SMILES OC(O)[C@@H]1CCCN1C(=O)CNC1CC2CC1CCC2
Show InChI InChI=1S/C15H26N2O3/c18-14(17-6-2-5-13(17)15(19)20)9-16-12-8-10-3-1-4-11(12)7-10/h10-13,15-16,19-20H,1-9H2/t10?,11?,12?,13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP7 using Ala-Pro-AMC in fluorometric assay


Bioorg Med Chem Lett 15: 4239-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.075
BindingDB Entry DOI: 10.7270/Q2CJ8D2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50171657
PNG
(2-(Bicyclo[3.2.1]oct-6-ylamino)-1-((S)-2-dihydroxy...)
Show SMILES OC(O)[C@@H]1CCCN1C(=O)CNC1CC2CC1CCC2
Show InChI InChI=1S/C15H26N2O3/c18-14(17-6-2-5-13(17)15(19)20)9-16-12-8-10-3-1-4-11(12)7-10/h10-13,15-16,19-20H,1-9H2/t10?,11?,12?,13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4 using Gly-Pro-AMC in fluorometric assay


Bioorg Med Chem Lett 15: 4239-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.075
BindingDB Entry DOI: 10.7270/Q2CJ8D2F
More data for this
Ligand-Target Pair