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BDBM50201427 2-(3-guanidinophenyl)-3-mercaptopropanoic acid::CHEMBL245787

SMILES: [#7]\[#6](-[#7])=[#7]\c1cccc(c1)-[#6](-[#6]-[#16])-[#6](-[#8])=O

InChI Key: InChIKey=YHBCRXAIIVZWEW-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50201427   
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
Carboxypeptidase N, catalytic subunit


(Homo sapiens (Human))
BDBM50201427
PNG
(2-(3-guanidinophenyl)-3-mercaptopropanoic acid | C...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(c1)-[#6](-[#6]-[#16])-[#6](-[#8])=O
Show InChI InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)
PDB
MMDB

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PC cid
PC sid
UniChem
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n/an/a 8n/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)
BDBM50201427
PNG
(2-(3-guanidinophenyl)-3-mercaptopropanoic acid | C...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(c1)-[#6](-[#6]-[#16])-[#6](-[#8])=O
Show InChI InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.72E+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
Carboxypeptidase N, catalytic subunit


(Homo sapiens (Human))
BDBM50201427
PNG
(2-(3-guanidinophenyl)-3-mercaptopropanoic acid | C...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(c1)-[#6](-[#6]-[#16])-[#6](-[#8])=O
Show InChI InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
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n/an/a 8n/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)
BDBM50201427
PNG
(2-(3-guanidinophenyl)-3-mercaptopropanoic acid | C...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(c1)-[#6](-[#6]-[#16])-[#6](-[#8])=O
Show InChI InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.72E+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
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50201427
PNG
(2-(3-guanidinophenyl)-3-mercaptopropanoic acid | C...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(c1)-[#6](-[#6]-[#16])-[#6](-[#8])=O
Show InChI InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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