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BDBM50295974 (3R,6S,7aS)-6-Amino-6-((S)-sec-butyl)-5-oxo-hexahydro-pyrrolo[2,1-b]thiazole-3-carbonitrile hydrochloride::CHEMBL563772

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

InChI Key: InChIKey=SVTPKDSKXXOAAJ-DKIAZLNASA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50295974   
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 4


(Homo sapiens (Human))
BDBM50295974
PNG
((3R,6S,7aS)-6-Amino-6-((S)-sec-butyl)-5-oxo-hexahy...)
Show SMILES CC[C@H](C)[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C11H17N3OS/c1-3-7(2)11(13)4-9-14(10(11)15)8(5-12)6-16-9/h7-9H,3-4,6,13H2,1-2H3/t7-,8+,9-,11-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 53n/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))
BDBM50295974
PNG
((3R,6S,7aS)-6-Amino-6-((S)-sec-butyl)-5-oxo-hexahy...)
Show SMILES CC[C@H](C)[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C11H17N3OS/c1-3-7(2)11(13)4-9-14(10(11)15)8(5-12)6-16-9/h7-9H,3-4,6,13H2,1-2H3/t7-,8+,9-,11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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