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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine 3-hydroxylase' AND taxid = 9913   
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


(Bos taurus)
BDBM50017845
PNG
(3-(3,4-Dihydroxy-5-nitro-phenyl)-1-(3,4,5-trimetho...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C\c1cc(O)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H17NO8/c1-25-15-8-11(9-16(26-2)18(15)27-3)13(20)5-4-10-6-12(19(23)24)17(22)14(21)7-10/h4-9,21-22H,1-3H3/b5-4+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Orion Corporation Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against the tyrosine hydroxylase


J Med Chem 32: 841-6 (1989)

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


(Bos taurus)
BDBM50017850
PNG
(1-(3,4-Dihydroxy-phenyl)-2-methyl-propan-1-one | C...)
Show SMILES CC(C)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C10H12O3/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,11-12H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Orion Corporation Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against the tyrosine hydroxylase


J Med Chem 32: 841-6 (1989)

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


(Bos taurus)
BDBM50017857
PNG
(3-(3,4-Dihydroxy-5-nitro-phenyl)-1-phenyl-propenon...)
Show SMILES Oc1cc(\C=C\C(=O)c2ccccc2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C15H11NO5/c17-13(11-4-2-1-3-5-11)7-6-10-8-12(16(20)21)15(19)14(18)9-10/h1-9,18-19H/b7-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Orion Corporation Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against the tyrosine hydroxylase


J Med Chem 32: 841-6 (1989)

More data for this
Ligand-Target Pair