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Compile Data Set for Download or QSAR

Found 12 hits of ki data for polymerid = 50000843,50000844,50001273   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Diamine oxidase


(Homo sapiens)
BDBM50000999
PNG
(CHEBI:81724 | DIMINAZENE)
Show SMILES NC(=N)c1ccc(N\N=N\c2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
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13n/an/an/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Mixed type inhibition of recombinant human DAO expressed in drosophila S2 cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Diamine oxidase


(Homo sapiens)
BDBM50207159
PNG
(2-aminoguanidine | 2-azanylguanidine | AG | AMINOG...)
Show SMILES NNC(N)=N
Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
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140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for ability of the compound to competitively inhibit hog kidney diamine oxidase (DAO) in a spectrometric assay


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


(Homo sapiens)
BDBM50281515
PNG
((E)-3-(1H-Imidazol-4-yl)-allylamine | CHEMBL119195...)
Show SMILES NCC=Cc1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-3-1-2-6-4-8-5-9-6/h1-2,4-5H,3,7H2,(H,8,9)
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170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for ability of the compound to competitively inhibit hog kidney diamine oxidase (DAO) in a spectrometric assay


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


(Homo sapiens)
BDBM50281515
PNG
((E)-3-(1H-Imidazol-4-yl)-allylamine | CHEMBL119195...)
Show SMILES NCC=Cc1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-3-1-2-6-4-8-5-9-6/h1-2,4-5H,3,7H2,(H,8,9)
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for ability of the compound to competitively inhibit hog kidney diamine oxidase (DAO) in a spectrometric assay


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


(Homo sapiens)
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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290n/an/an/an/an/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Mixed type inhibition of recombinant human DAO expressed in drosophila S2 cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Diamine oxidase


(Homo sapiens)
BDBM50281517
PNG
(3-(1H-Imidazol-4-yl)-prop-2-ynylamine | CHEMBL1165...)
Show SMILES NCC#Cc1cnc[nH]1
Show InChI InChI=1S/C6H7N3/c7-3-1-2-6-4-8-5-9-6/h4-5H,3,7H2,(H,8,9)
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Article
1.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for ability of the compound to competitively inhibit hog kidney diamine oxidase (DAO) in a spectrometric assay


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


(Homo sapiens)
BDBM50020274
PNG
(2,2-Difluoro-hex-5-yne-1,4-diamonium; dichloride |...)
Show SMILES [NH3+]CC(F)(F)CC([NH3+])C#C
Show InChI InChI=1S/C6H10F2N2/c1-2-5(10)3-6(7,8)4-9/h1,5H,3-4,9-10H2/p+2
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2.70E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition against hog kidney diamine oxidase


J Med Chem 32: 170-3 (1989)

More data for this
Ligand-Target Pair
Diamine oxidase


(Homo sapiens)
BDBM50121458
PNG
(1-[3-(2-Hydroxy-phenyl)-5-o-tolyl-4,5-dihydro-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccccc1O
Show InChI InChI=1S/C18H18N2O2/c1-12-7-3-4-8-14(12)17-11-16(19-20(17)13(2)21)15-9-5-6-10-18(15)22/h3-10,17,22H,11H2,1-2H3
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5.50E+3n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Swine kidney diamine oxidase (SKDAO)


Bioorg Med Chem Lett 12: 3629-33 (2002)

More data for this
Ligand-Target Pair
Diamine oxidase


(Homo sapiens)
BDBM50281518
PNG
(2-(1H-Imidazol-4-yl)-allylamine | CHEMBL116538)
Show SMILES NCC(=C)c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c1-5(2-7)6-3-8-4-9-6/h3-4H,1-2,7H2,(H,8,9)
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Article
7.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for ability of the compound to competitively inhibit hog kidney diamine oxidase (DAO) in a spectrometric assay


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


(Homo sapiens)
BDBM50121455
PNG
(1-[3-(2-Hydroxy-phenyl)-5-m-tolyl-4,5-dihydro-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccccc1O
Show InChI InChI=1S/C18H18N2O2/c1-12-6-5-7-14(10-12)17-11-16(19-20(17)13(2)21)15-8-3-4-9-18(15)22/h3-10,17,22H,11H2,1-2H3
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8.00E+3n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Swine kidney diamine oxidase (SKDAO)


Bioorg Med Chem Lett 12: 3629-33 (2002)

More data for this
Ligand-Target Pair
Diamine oxidase


(Homo sapiens)
BDBM50121457
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-m-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O3/c1-11-4-3-5-13(8-11)17-10-16(19-20(17)12(2)21)15-7-6-14(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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2.50E+4n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Swine kidney diamine oxidase (SKDAO)


Bioorg Med Chem Lett 12: 3629-33 (2002)

More data for this
Ligand-Target Pair
Diamine oxidase


(Homo sapiens)
BDBM50121456
PNG
(1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1C)c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-4-6-14(11)17-10-16(19-20(17)12(2)21)15-8-7-13(22)9-18(15)23/h3-9,17,22-23H,10H2,1-2H3
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1.00E+5n/an/an/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Swine kidney diamine oxidase (SKDAO)


Bioorg Med Chem Lett 12: 3629-33 (2002)

More data for this
Ligand-Target Pair