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BDBM50201432 2-(1-(1-iminoethyl)piperidin-4-yl)-3-mercaptopropanoic acid::CHEMBL245785

SMILES: CC(=N)N1CCC(CC1)C(CS)C(O)=O

InChI Key: InChIKey=ODTIDKLOSIANQV-UHFFFAOYSA-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 = 50201432   
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
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50201432
PNG
(2-(1-(1-iminoethyl)piperidin-4-yl)-3-mercaptopropa...)
Show SMILES CC(=N)N1CCC(CC1)C(CS)C(O)=O
Show InChI InChI=1S/C10H18N2O2S/c1-7(11)12-4-2-8(3-5-12)9(6-15)10(13)14/h8-9,11,15H,2-6H2,1H3,(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human activated thrombin activatable fibrinolysis inhibitor


Bioorg Med Chem Lett 17: 1349-54 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.078
BindingDB Entry DOI: 10.7270/Q2RJ4J5B
More data for this
Ligand-Target Pair
Carboxypeptidase N, catalytic subunit


(Homo sapiens (Human))
BDBM50201432
PNG
(2-(1-(1-iminoethyl)piperidin-4-yl)-3-mercaptopropa...)
Show SMILES CC(=N)N1CCC(CC1)C(CS)C(O)=O
Show InChI InChI=1S/C10H18N2O2S/c1-7(11)12-4-2-8(3-5-12)9(6-15)10(13)14/h8-9,11,15H,2-6H2,1H3,(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase N


Bioorg Med Chem Lett 17: 1349-54 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.078
BindingDB Entry DOI: 10.7270/Q2RJ4J5B
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201432
PNG
(2-(1-(1-iminoethyl)piperidin-4-yl)-3-mercaptopropa...)
Show SMILES CC(=N)N1CCC(CC1)C(CS)C(O)=O
Show InChI InChI=1S/C10H18N2O2S/c1-7(11)12-4-2-8(3-5-12)9(6-15)10(13)14/h8-9,11,15H,2-6H2,1H3,(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.04E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


Bioorg Med Chem Lett 17: 1349-54 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.078
BindingDB Entry DOI: 10.7270/Q2RJ4J5B
More data for this
Ligand-Target Pair