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Compile Data Set for Download or QSAR

Found 24 hits of ic50 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
Testis-specific androgen-binding protein


(Rattus norvegicus)
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Inhibition of rat androgen binding protein (rABP) (n=9)


J Med Chem 33: 129-32 (1990)

More data for this
Ligand-Target Pair
Testis-specific androgen-binding protein


(Rattus norvegicus)
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Inhibition of rat androgen binding protein (rABP)


J Med Chem 33: 129-32 (1990)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046207
PNG
(6-((E)-{[(E)-[(2E)-2-({6-[(E)-amino(imino)methyl]p...)
Show SMILES NC(=N)c1cccc(C=NNC(=N)NN=Cc2cccc(n2)C(N)=N)n1
Show InChI InChI=1S/C15H17N11/c16-13(17)11-5-1-3-9(23-11)7-21-25-15(20)26-22-8-10-4-2-6-12(24-10)14(18)19/h1-8H,(H3,16,17)(H3,18,19)(H3,20,25,26)
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n/an/a 760n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046196
PNG
(3-((E)-{[(Z)-((2E)-2-{3-[(E)-amino(imino)methyl]be...)
Show SMILES NC(NN=Cc1cccc(c1)C(N)=N)=NN=Cc1cccc(c1)C(N)=N
Show InChI InChI=1S/C17H19N9/c18-15(19)13-5-1-3-11(7-13)9-23-25-17(22)26-24-10-12-4-2-6-14(8-12)16(20)21/h1-10H,(H3,18,19)(H3,20,21)(H3,22,25,26)
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n/an/a 830n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046210
PNG
(6-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)p...)
Show SMILES NC(=N)NN=Cc1cccc(n1)C(N)=N
Show InChI InChI=1S/C8H11N7/c9-7(10)6-3-1-2-5(14-6)4-13-15-8(11)12/h1-4H,(H3,9,10)(H4,11,12,15)
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n/an/a 870n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046203
PNG
(3-((E)-{[(E)-amino(hydrazono)methyl]hydrazono}meth...)
Show SMILES NC(=N)c1cccc(CNN=C(N)N=N)c1
Show InChI InChI=1S/C9H13N7/c10-8(11)7-3-1-2-6(4-7)5-14-16-9(12)15-13/h1-4,13-14H,5H2,(H3,10,11)(H2,12,16)
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n/an/a 870n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046201
PNG
((2E)-2-((2E)-2-{[(E)-amino(imino)methyl]hydrazono}...)
Show SMILES CC(C=NNC(N)=N)=NN=C(N)N
Show InChI InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046192
PNG
(6-((E)-{[(E)-amino(hydrazono)methyl]hydrazono}meth...)
Show SMILES NC(=N)c1cccc(CNN=C(N)N=N)n1
Show InChI InChI=1S/C8H12N8/c9-7(10)6-3-1-2-5(14-6)4-13-16-8(11)15-12/h1-3,12-13H,4H2,(H3,9,10)(H2,11,16)
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n/an/a 1.66E+3n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046200
PNG
((2E)-2-(1-{3-[(E)-amino(imino)methyl]phenyl}ethyli...)
Show SMILES CC(=NN=C(N)N)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C10H14N6/c1-6(15-16-10(13)14)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H3,11,12)(H4,13,14,16)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046191
PNG
((2E)-2-{3-[(E)-amino(imino)methyl]benzylidene}-N'-...)
Show SMILES CCCCN=C(N)NN=Cc1cccc(c1)C(N)=N
Show InChI InChI=1S/C13H20N6/c1-2-3-7-17-13(16)19-18-9-10-5-4-6-11(8-10)12(14)15/h4-6,8-9H,2-3,7H2,1H3,(H3,14,15)(H3,16,17,19)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046195
PNG
(4-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)p...)
Show SMILES NC(=N)NN=Cc1ccnc(c1)C(N)=N
Show InChI InChI=1S/C8H11N7/c9-7(10)6-3-5(1-2-13-6)4-14-15-8(11)12/h1-4H,(H3,9,10)(H4,11,12,15)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046211
PNG
(2-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)p...)
Show SMILES NC(=N)NN=Cc1nccc(n1)C(N)=N
Show InChI InChI=1S/C7H10N8/c8-6(9)4-1-2-12-5(14-4)3-13-15-7(10)11/h1-3H,(H3,8,9)(H4,10,11,15)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046199
PNG
((2E)-2-{3-[(E)-amino(butylimino)methyl]benzylidene...)
Show SMILES CCCCN=C(N)c1cccc(C=NNC(N)=N)c1
Show InChI InChI=1S/C13H20N6/c1-2-3-7-17-12(14)11-6-4-5-10(8-11)9-18-19-13(15)16/h4-6,8-9H,2-3,7H2,1H3,(H2,14,17)(H4,15,16,19)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046189
PNG
((2E)-2-{3-[(Z)-amino(imino)methyl]benzylidene}hydr...)
Show SMILES NC(=N)NN=Cc1cccc(c1)C(N)=N
Show InChI InChI=1S/C9H12N6/c10-8(11)7-3-1-2-6(4-7)5-14-15-9(12)13/h1-5H,(H3,10,11)(H4,12,13,15)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046202
PNG
(6-((E)-{[(E)-amino(hydroxyimino)methyl]hydrazono}m...)
Show SMILES NC(NO)=NN=Cc1cccc(n1)C(N)=N
Show InChI InChI=1S/C8H11N7O/c9-7(10)6-3-1-2-5(13-6)4-12-14-8(11)15-16/h1-4,16H,(H3,9,10)(H3,11,14,15)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046194
PNG
(4-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)p...)
Show SMILES NC(=N)NN=Cc1ccnc(n1)C(N)=N
Show InChI InChI=1S/C7H10N8/c8-5(9)6-12-2-1-4(14-6)3-13-15-7(10)11/h1-3H,(H3,8,9)(H4,10,11,15)
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n/an/a 8.05E+3n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046197
PNG
(4-{3-[(Z)-amino(imino)methyl]phenyl}pyrimidine-2-c...)
Show SMILES NC(=N)c1cccc(c1)-c1ccnc(n1)C(N)=N
Show InChI InChI=1S/C12H12N6/c13-10(14)8-3-1-2-7(6-8)9-4-5-17-12(18-9)11(15)16/h1-6H,(H3,13,14)(H3,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046204
PNG
(4,4'-bipyridine-2,2'-dicarboximidamide | CHEMBL433...)
Show SMILES NC(=N)c1cc(ccn1)-c1ccnc(c1)C(N)=N
Show InChI InChI=1S/C12H12N6/c13-11(14)9-5-7(1-3-17-9)8-2-4-18-10(6-8)12(15)16/h1-6H,(H3,13,14)(H3,15,16)
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n/an/a 1.29E+4n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046193
PNG
((2E)-2-(1-{3-[(E)-amino(imino)methyl]phenyl}propyl...)
Show SMILES CCC(=NN=C(N)N)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C11H16N6/c1-2-9(16-17-11(14)15)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3,(H3,12,13)(H4,14,15,17)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046190
PNG
(6-((E)-{[(E)-amino(hydrazono)methyl]hydrazono}meth...)
Show SMILES NN=C(N)c1cccc(C=NNC(N)=N)n1
Show InChI InChI=1S/C8H12N8/c9-7(15-12)6-3-1-2-5(14-6)4-13-16-8(10)11/h1-4H,12H2,(H2,9,15)(H4,10,11,16)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046209
PNG
((2E)-2-{3-[(E)-amino(imino)methyl]benzylidene}-N'-...)
Show SMILES NC(NO)=NN=Cc1cccc(c1)C(N)=N
Show InChI InChI=1S/C9H12N6O/c10-8(11)7-3-1-2-6(4-7)5-13-14-9(12)15-16/h1-5,16H,(H3,10,11)(H3,12,14,15)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046208
PNG
(3-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)b...)
Show SMILES NC(=N)NN=Cc1cccc(c1)C(N)=O
Show InChI InChI=1S/C9H11N5O/c10-8(15)7-3-1-2-6(4-7)5-13-14-9(11)12/h1-5H,(H2,10,15)(H4,11,12,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046198
PNG
(6-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)-...)
Show SMILES NC(=N)NN=Cc1cccc(n1)C(=N)NO
Show InChI InChI=1S/C8H11N7O/c9-7(15-16)6-3-1-2-5(13-6)4-12-14-8(10)11/h1-4,16H,(H2,9,15)(H4,10,11,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair
Diamine oxidase


(Rattus norvegicus)
BDBM50046206
PNG
(2,2'-bipyridine-6,6'-dicarboximidamide | CHEMBL151...)
Show SMILES NC(=N)c1cccc(n1)-c1cccc(n1)C(N)=N
Show InChI InChI=1S/C12H12N6/c13-11(14)9-5-1-3-7(17-9)8-4-2-6-10(18-8)12(15)16/h1-6H,(H3,13,14)(H3,15,16)
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n/an/a 2.40E+5n/an/an/an/an/an/a



Ciba-Geigy AG

Curated by ChEMBL


Assay Description
In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.


J Med Chem 36: 46-54 (1993)

More data for this
Ligand-Target Pair