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BDBM50109593 2-Benzyl-3-mercapto-propionic acid::2-Mercaptomethyl-3-phenyl-propionic acid::CHEMBL58957::SQ-14603

SMILES: OC(=O)C(CS)Cc1ccccc1

InChI Key: InChIKey=ZUEBVBPVXLQMQR-UHFFFAOYSA-N

Data: 5 KI

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 = 50109593   
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 A1


(Bos taurus (bovine))
BDBM50109593
PNG
(2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...)
Show SMILES OC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
10n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.


J Med Chem 45: 911-8 (2002)


BindingDB Entry DOI: 10.7270/Q2VM4BJD
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50109593
PNG
(2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...)
Show SMILES OC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)


Bioorg Med Chem Lett 1: 323-326 (1991)


Article DOI: 10.1016/S0960-894X(01)80817-9
BindingDB Entry DOI: 10.7270/Q2QR4X1V
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50109593
PNG
(2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...)
Show SMILES OC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate


Bioorg Med Chem Lett 1: 317-322 (1991)


Article DOI: 10.1016/S0960-894X(01)80816-7
BindingDB Entry DOI: 10.7270/Q2VH5NR5
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50109593
PNG
(2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...)
Show SMILES OC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
11n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against glutamate carboxypeptidase II (GCP II) using N-acetyl-L-aspartyl-[3H]-L-glutamate as a substrate


J Med Chem 46: 1989-96 (2003)


Article DOI: 10.1021/jm020515w
BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50109593
PNG
(2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...)
Show SMILES OC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic carboxypeptidase A


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair