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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine 3-hydroxylase' 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
Tyrosine 3-hydroxylase


(Homo sapiens)
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of tyrosine hydroxylase


J Med Chem 50: 171-81 (2007)

More data for this
Ligand-Target Pair
Tyrosine 3-hydroxylase


(Homo sapiens)
BDBM50007425
PNG
((S) 6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m0/s1
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of tyrosine hydroxylase


J Med Chem 50: 171-81 (2007)

More data for this
Ligand-Target Pair
Tyrosine 3-hydroxylase


(Homo sapiens)
BDBM84636
PNG
(CHEMBL27559 | NPA-11-OH-R,(+))
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m1/s1
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Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of tyrosine hydroxylase


J Med Chem 50: 171-81 (2007)

More data for this
Ligand-Target Pair
Tyrosine 3-hydroxylase


(Homo sapiens)
BDBM50023739
PNG
((S)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

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PC cid
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Patents


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AffyNet 
Article
PubMed
n/an/a 8.70E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of tyrosine hydroxylase


J Med Chem 50: 171-81 (2007)

More data for this
Ligand-Target Pair