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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mast cell carboxypeptidase A' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mast cell carboxypeptidase A


(Homo sapiens)
BDBM50281176
PNG
((S)-2-Mercaptomethyl-3-phenyl-propionic acid | 2-T...)
Show SMILES OC(=O)[C@@H](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)/t9-/m1/s1
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Article
7.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against carboxypeptidase A


Citation and Details
More data for this
Ligand-Target Pair
Mast cell carboxypeptidase A


(Homo sapiens)
BDBM50121929
PNG
((phenylmethyl)butanedioic acid | 2-benzylbutanedio...)
Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
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PubMed
450n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of Carboxypeptidase A


J Med Chem 45: 5609-16 (2002)

More data for this
Ligand-Target Pair
Mast cell carboxypeptidase A


(Homo sapiens)
BDBM50121917
PNG
(2-Benzyl-pentanedioic acid | CHEMBL153232)
Show SMILES OC(=O)CCC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H14O4/c13-11(14)7-6-10(12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)(H,15,16)
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5.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of Carboxypeptidase A


J Med Chem 45: 5609-16 (2002)

More data for this
Ligand-Target Pair
Mast cell carboxypeptidase A


(Homo sapiens)
BDBM50058391
PNG
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1
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PubMed
1.70E+4n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of the compound for carboxypeptidase A


Citation and Details
More data for this
Ligand-Target Pair