Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50032653 Target/Host
(Institution) | Ligand | Target/Host
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 | pH | Temp
°C |
|---|
Aldehyde oxidase 1
(Rattus norvegicus) | BDBM82507
((+/-)-Methadone | CAS_5967-73-7 | METHADONE | Meth...)Show InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 | KEGG
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| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Oryctolagus cuniculus) | BDBM87351
(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
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| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rabbit aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Rattus norvegicus) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] 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
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| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Oryctolagus cuniculus) | BDBM50332779
(6,6'-azopurine | CHEMBL1630858)Show SMILES c1nc2ncnc(N=Nc3ncnc4nc[nH]c34)c2[nH]1 |w:7.6| 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
| Article
PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rabbit aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM22889
((Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidaz...)Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) | PDB
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| CHEMBL
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| 1.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | PDB
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Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | PDB
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Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM50130273
(2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...)Show InChI InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2 | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM50332780
(7-Hydroxy-acridine-4-carboxylic acid (2-dimethylam...)Show InChI InChI=1S/C18H19N3O2/c1-21(2)9-8-19-18(23)15-5-3-4-12-10-13-11-14(22)6-7-16(13)20-17(12)15/h3-7,10-11,22H,8-9H2,1-2H3,(H,19,23) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] 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 | PDB
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| Article
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Macaca fascicularis) | BDBM24778
(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3 | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of monkey aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Mus musculus) | BDBM24778
(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3 | KEGG
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Rattus norvegicus) | BDBM24778
(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3 | KEGG
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM24778
(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3 | PDB
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| DrugBank
Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Rattus norvegicus) | BDBM50332780
(7-Hydroxy-acridine-4-carboxylic acid (2-dimethylam...)Show InChI InChI=1S/C18H19N3O2/c1-21(2)9-8-19-18(23)15-5-3-4-12-10-13-11-14(22)6-7-16(13)20-17(12)15/h3-7,10-11,22H,8-9H2,1-2H3,(H,19,23) | KEGG
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| CHEMBL
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| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM19459
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H | PDB
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| Article
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| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM20625
(4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ | PDB
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| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Macaca fascicularis) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | PDB
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Article
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of monkey aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldehyde oxidase 1
(Mus musculus) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | KEGG
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)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 | PDB
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| Article
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| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)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 | PDB
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| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM50187243
(17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestra...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C |r| Show InChI InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 | PDB
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| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Rattus norvegicus) | BDBM50130273
(2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...)Show InChI InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2 | KEGG
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| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Rattus norvegicus) | BDBM50017716
(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)Show InChI InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3 | KEGG
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Rattus norvegicus) | BDBM50017716
(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)Show InChI InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3 | KEGG
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Rattus norvegicus) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | KEGG
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Oryctolagus cuniculus) | BDBM24778
(2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...)Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3 | KEGG
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rabbit aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM87351
(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) | PDB
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| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM50015214
(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) | PDB
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| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Macaca fascicularis) | BDBM50130273
(2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...)Show InChI InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2 | PDB
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| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of monkey aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Mus musculus) | BDBM50130273
(2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...)Show InChI InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2 | KEGG
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| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Rattus norvegicus) | BDBM87351
(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
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| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Rattus norvegicus) | BDBM87351
(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
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| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Oryctolagus cuniculus) | BDBM50015214
(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) | KEGG
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| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rabbit aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Macaca fascicularis) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] 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 | PDB
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| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of monkey aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM50240367
(3-Hydroxy-4-methoxy-benzaldehyde | 3-hydroxy-4-met...)Show InChI InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3 | PDB
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| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Oryctolagus cuniculus) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)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 | KEGG
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| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rabbit aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase 1
(Oryctolagus cuniculus) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] 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
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| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rabbit aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
Aldehyde oxidase
(Homo sapiens (Human)) | BDBM50017716
(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)Show InChI InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3 | PDB
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| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human aldehyde oxidase |
J Med Chem 53: 8441-60 (2010)
Article DOI: 10.1021/jm100888d
BindingDB Entry DOI: 10.7270/Q2057G6G |
More data for this
Ligand-Target Pair | |
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