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BDBM50295979 (3R,6R,7aS)-6-amino-6-(cyclohexylmethyl)-5-oxohexahydropyrrolo[2,1-b]thiazole-3-carbonitrile hydrochloride::CHEMBL556219

SMILES: N[C@]1(CC2CCCCC2)C[C@@H]2SC[C@@H](C#N)N2C1=O

InChI Key: InChIKey=JEFBRUNEFKFXDS-MBNYWOFBSA-N

Data: 2 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 2 hits for monomerid = 50295979   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295979
PNG
((3R,6R,7aS)-6-amino-6-(cyclohexylmethyl)-5-oxohexa...)
Show SMILES N[C@]1(CC2CCCCC2)C[C@@H]2SC[C@@H](C#N)N2C1=O
Show InChI InChI=1S/C14H21N3OS/c15-8-11-9-19-12-7-14(16,13(18)17(11)12)6-10-4-2-1-3-5-10/h10-12H,1-7,9,16H2/t11-,12+,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 118n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50295979
PNG
((3R,6R,7aS)-6-amino-6-(cyclohexylmethyl)-5-oxohexa...)
Show SMILES N[C@]1(CC2CCCCC2)C[C@@H]2SC[C@@H](C#N)N2C1=O
Show InChI InChI=1S/C14H21N3OS/c15-8-11-9-19-12-7-14(16,13(18)17(11)12)6-10-4-2-1-3-5-10/h10-12H,1-7,9,16H2/t11-,12+,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Sf9 cells by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair