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BDBM50201431 2-(3-aminophenyl)-3-mercaptopropanoic acid::CHEMBL246595

SMILES: Nc1cccc(c1)C(CS)C(O)=O

InChI Key: InChIKey=WOYCAJIRNXWVLG-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 = 50201431   
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))
BDBM50201431
PNG
(2-(3-aminophenyl)-3-mercaptopropanoic acid | CHEMB...)
Show SMILES Nc1cccc(c1)C(CS)C(O)=O
Show InChI InChI=1S/C9H11NO2S/c10-7-3-1-2-6(4-7)8(5-13)9(11)12/h1-4,8,13H,5,10H2,(H,11,12)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 785n/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)

More data for this
Ligand-Target Pair
Carboxypeptidase N, catalytic subunit


(Homo sapiens)
BDBM50201431
PNG
(2-(3-aminophenyl)-3-mercaptopropanoic acid | CHEMB...)
Show SMILES Nc1cccc(c1)C(CS)C(O)=O
Show InChI InChI=1S/C9H11NO2S/c10-7-3-1-2-6(4-7)8(5-13)9(11)12/h1-4,8,13H,5,10H2,(H,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 357n/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)

More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201431
PNG
(2-(3-aminophenyl)-3-mercaptopropanoic acid | CHEMB...)
Show SMILES Nc1cccc(c1)C(CS)C(O)=O
Show InChI InChI=1S/C9H11NO2S/c10-7-3-1-2-6(4-7)8(5-13)9(11)12/h1-4,8,13H,5,10H2,(H,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/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)

More data for this
Ligand-Target Pair