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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Aldehyde oxidase' AND taxid = 9986   
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
Aldehyde oxidase


(Oryctolagus cuniculus)
BDBM87351
PNG
(Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
PDB
UniChem

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AffyNet 
Article
PubMed
60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit aldehyde oxidase


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Oryctolagus cuniculus)
BDBM50332779
PNG
(6,6'-azopurine | CHEMBL1630858)
Show SMILES c1nc2ncnc(N=Nc3ncnc4nc[nH]c34)c2[nH]1
Show InChI InChI=1S/C10H6N10/c1-11-5-7(13-1)15-3-17-9(5)19-20-10-6-8(14-2-12-6)16-4-18-10/h1-4H,(H,11,13,15,17)(H,12,14,16,18)
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit aldehyde oxidase


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Oryctolagus cuniculus)
BDBM24778
PNG
(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)
Show SMILES CC1=CC(=O)c2ccccc2C1=O
Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit aldehyde oxidase


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Oryctolagus cuniculus)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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PC cid
PC sid
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit aldehyde oxidase


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Oryctolagus cuniculus)
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit aldehyde oxidase


Citation and Details
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Oryctolagus cuniculus)
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


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AffyNet 
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit aldehyde oxidase


Citation and Details
More data for this
Ligand-Target Pair