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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Dehydrogenase/reductase SDR family member 9' AND taxid = 10116   
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
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50213558
PNG
(2-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)-pyrrol-2-y...)
Show SMILES OC(=O)Cc1cccn1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C14H13NO4/c16-14(17)9-10-2-1-5-15(10)11-3-4-12-13(8-11)19-7-6-18-12/h1-5,8H,6-7,9H2,(H,16,17)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371165
PNG
(CHEMBL236237)
Show SMILES OC(=O)Cc1ccn(c1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C14H13NO4/c16-14(17)7-10-3-4-15(9-10)11-1-2-12-13(8-11)19-6-5-18-12/h1-4,8-9H,5-7H2,(H,16,17)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50213563
PNG
(2-(N-(2-fluorophenyl)pyrrol-2-yl) acetic acid | CH...)
Show SMILES OC(=O)Cc1cccn1-c1ccccc1F
Show InChI InChI=1S/C12H10FNO2/c13-10-5-1-2-6-11(10)14-7-3-4-9(14)8-12(15)16/h1-7H,8H2,(H,15,16)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50213559
PNG
(2-(N-(2-Ffuorophenyl)pyrrol-3-yl) acetic acid | CH...)
Show SMILES OC(=O)Cc1ccn(c1)-c1ccccc1F
Show InChI InChI=1S/C12H10FNO2/c13-10-3-1-2-4-11(10)14-6-5-9(8-14)7-12(15)16/h1-6,8H,7H2,(H,15,16)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371167
PNG
(CHEMBL236030)
Show SMILES OC(=O)C(=O)c1cccn1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C14H11NO5/c16-13(14(17)18)10-2-1-5-15(10)9-3-4-11-12(8-9)20-7-6-19-11/h1-5,8H,6-7H2,(H,17,18)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371173
PNG
(CHEMBL397792)
Show SMILES OC(=O)c1cccc2cc3OCCOc3cc12
Show InChI InChI=1S/C13H10O4/c14-13(15)9-3-1-2-8-6-11-12(7-10(8)9)17-5-4-16-11/h1-3,6-7H,4-5H2,(H,14,15)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371164
PNG
(CHEMBL413980)
Show SMILES OC(=O)CC1=COc2ccccc2O1
Show InChI InChI=1S/C10H8O4/c11-10(12)5-7-6-13-8-3-1-2-4-9(8)14-7/h1-4,6H,5H2,(H,11,12)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371166
PNG
(CHEMBL236444)
Show SMILES OC(=O)C1CCCc2cc3OCCOc3cc12
Show InChI InChI=1S/C13H14O4/c14-13(15)9-3-1-2-8-6-11-12(7-10(8)9)17-5-4-16-11/h6-7,9H,1-5H2,(H,14,15)
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n/an/a 1.29E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371171
PNG
(CHEMBL235586)
Show SMILES OC(=O)CCC(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C12H12O5/c13-9(2-4-12(14)15)8-1-3-10-11(7-8)17-6-5-16-10/h1,3,7H,2,4-6H2,(H,14,15)
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n/an/a 2.09E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371162
PNG
(CHEMBL394393)
Show SMILES OC(=O)CCCc1ccc2OCCOc2c1
Show InChI InChI=1S/C12H14O4/c13-12(14)3-1-2-9-4-5-10-11(8-9)16-7-6-15-10/h4-5,8H,1-3,6-7H2,(H,13,14)
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n/an/a 2.09E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50213566
PNG
(2-(2,3-dihydro-1,4-benzodioxin-6-yl) acetic acid |...)
Show SMILES OC(=O)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C10H10O4/c11-10(12)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2,(H,11,12)
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n/an/a 2.18E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371163
PNG
(CHEMBL236239)
Show SMILES OC(=O)C(=O)c1cccn1-c1ccccc1F
Show InChI InChI=1S/C12H8FNO3/c13-8-4-1-2-5-9(8)14-7-3-6-10(14)11(15)12(16)17/h1-7H,(H,16,17)
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n/an/a>2.50E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50213553
PNG
((S)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propano...)
Show SMILES C[C@H](C(O)=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C11H12O4/c1-7(11(12)13)8-2-3-9-10(6-8)15-5-4-14-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)/t7-/m0/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371161
PNG
(CHEMBL236235)
Show SMILES O=NC1CCCc2cc3OCCOc3cc12
Show InChI InChI=1S/C12H13NO3/c14-13-10-3-1-2-8-6-11-12(7-9(8)10)16-5-4-15-11/h6-7,10H,1-5H2
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n/an/a>5.00E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371170
PNG
(CHEMBL236029)
Show SMILES OC(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C9H8O4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H,10,11)
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n/an/a 6.30E+5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371174
PNG
(CHEMBL236236)
Show SMILES OC(=O)C1CCc2cc3OCCOc3cc2C1=O
Show InChI InChI=1S/C13H12O5/c14-12-8(13(15)16)2-1-7-5-10-11(6-9(7)12)18-4-3-17-10/h5-6,8H,1-4H2,(H,15,16)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371172
PNG
(CHEMBL236434)
Show SMILES C[C@@H](C(O)=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C11H12O4/c1-7(11(12)13)8-2-3-9-10(6-8)15-5-4-14-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)/t7-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371169
PNG
(CHEMBL235588)
Show SMILES O=C1CCC(O1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C12H12O4/c13-12-4-3-9(16-12)8-1-2-10-11(7-8)15-6-5-14-10/h1-2,7,9H,3-6H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50371168
PNG
(CHEMBL236445)
Show SMILES OC(=O)CC1COc2ccccc2O1
Show InChI InChI=1S/C10H10O4/c11-10(12)5-7-6-13-8-3-1-2-4-9(8)14-7/h1-4,7H,5-6H2,(H,11,12)
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Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair
Dehydrogenase/reductase SDR family member 9


(Rattus norvegicus)
BDBM50213553
PNG
((S)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propano...)
Show SMILES C[C@H](C(O)=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C11H12O4/c1-7(11(12)13)8-2-3-9-10(6-8)15-5-4-14-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)/t7-/m0/s1
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Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction


Citation and Details
More data for this
Ligand-Target Pair