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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'DOPA decarboxylase' AND taxid = 10090   
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
DOPA decarboxylase


(Mus musculus)
BDBM50046351
PNG
(2-Amino-2-fluoromethyl-3-(5-hydroxy-1H-indol-3-yl)...)
Show SMILES N[C@@](CF)(Cc1c[nH]c2ccc(O)cc12)C(O)=O
Show InChI InChI=1S/C12H13FN2O3/c13-6-12(14,11(17)18)4-7-5-15-10-2-1-8(16)3-9(7)10/h1-3,5,15-16H,4,6,14H2,(H,17,18)/t12-/m1/s1
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PubMed
2.43E+4n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by ChEMBL


Assay Description
Dissociation constant (KI) of the compound was evaluated as inhibitor of murine liver aromatic L-amino acid decarboxylase (AADC)


J Med Chem 36: 305-13 (1993)

More data for this
Ligand-Target Pair
DOPA decarboxylase


(Mus musculus)
BDBM50000060
PNG
(CHEMBL3228258)
Show SMILES Cc1ncc(COP(O)(O)=O)c(CN[C@@H](Cc2ccc(O)c(O)c2)C(O)=O)c1O
Show InChI InChI=1S/C17H21N2O9P/c1-9-16(22)12(11(6-18-9)8-28-29(25,26)27)7-19-13(17(23)24)4-10-2-3-14(20)15(21)5-10/h2-3,5-6,13,19-22H,4,7-8H2,1H3,(H,23,24)(H2,25,26,27)/t13-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ICR Swiss mouse liver dopa decarboxylase after 15 mins


J Med Chem 22: 233-7 (1979)

More data for this
Ligand-Target Pair
DOPA decarboxylase


(Mus musculus)
BDBM50000059
PNG
(CHEMBL3228257)
Show SMILES Cc1ncc(COP(O)(O)=O)c(CN[C@@H](Cc2ccc(O)cc2)C(O)=O)c1O
Show InChI InChI=1S/C17H21N2O8P/c1-10-16(21)14(12(7-18-10)9-27-28(24,25)26)8-19-15(17(22)23)6-11-2-4-13(20)5-3-11/h2-5,7,15,19-21H,6,8-9H2,1H3,(H,22,23)(H2,24,25,26)/t15-/m0/s1
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PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ICR Swiss mouse liver dopa decarboxylase after 15 mins


J Med Chem 22: 233-7 (1979)

More data for this
Ligand-Target Pair