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Found 21 hits Enz. Inhib. hit(s) with Target = 'Testosterone' 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
Testosterone


(RAT)
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50350421
PNG
(CHEMBL1813731)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1)S(=O)(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C33H47F3N2O4S/c1-21-19-38(43(41,42)28-8-6-5-7-27(28)33(34,35)36)22(2)18-37(21)20-32(40)16-15-30(3)23(17-32)9-10-24-25-11-12-29(39)31(25,4)14-13-26(24)30/h5-8,21-26,40H,9-20H2,1-4H3/t21-,22+,23+,24+,25+,26+,30+,31+,32-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



CHU de Qu£bec-Research Center (CHUL)

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in rat testes microsomes using [14C]-4-androstene-3,17-dione as substrate after 2 hrs


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50443289
PNG
(CHEMBL3088217)
Show SMILES CC1CN(C(C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1)S(=O)(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C33H47F3N2O4S/c1-21-19-38(43(41,42)28-8-6-5-7-27(28)33(34,35)36)22(2)18-37(21)20-32(40)16-15-30(3)23(17-32)9-10-24-25-11-12-29(39)31(25,4)14-13-26(24)30/h5-8,21-26,40H,9-20H2,1-4H3/t21?,22?,23-,24-,25-,26-,30-,31-,32+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Laval University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in rat testes microsomal fraction using [14C]-4-androstene-3,17-dione as substrate assessed as testosterone formation after...


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50443291
PNG
(CHEMBL3088087)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@]34C)CN[C@@H](Cc3ccccc3)C(=O)O5)[C@@H]1CCC2=O
Show InChI InChI=1S/C29H39NO3/c1-27-14-15-29(18-30-24(26(32)33-29)16-19-6-4-3-5-7-19)17-20(27)8-9-21-22-10-11-25(31)28(22,2)13-12-23(21)27/h3-7,20-24,30H,8-18H2,1-2H3/t20-,21-,22-,23-,24-,27-,28-,29+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Laval University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in rat testes microsomal fraction using [14C]-4-androstene-3,17-dione as substrate assessed as testosterone formation after...


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50111763
PNG
(CHEMBL3605211)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@]34C)CN(CC(=O)O5)S(=O)(=O)c3ccc(cc3)C(F)(F)F)[C@@H]1CCC2=O
Show InChI InChI=1S/C25H34N4O9/c1-12(2)13-3-5-14(6-4-13)22(34)27-11-18(38-24-21(33)20(32)17(10-26)37-24)16-9-15(30)23(36-16)29-8-7-19(31)28-25(29)35/h3-8,12,15-18,20-21,23-24,30,32-33H,9-11,26H2,1-2H3,(H,27,34)(H,28,31,35)/t15-,16+,17-,18+,20-,21-,23-,24+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



CHU de Qu£bec-Research Center (CHUL)

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in rat testes microsomes using [14C]-4-androstene-3,17-dione as substrate after 2 hrs


Citation and Details
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Rattus norvegicus)
BDBM50126972
PNG
(CHEMBL3629586)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H14F5NO5S2/c25-15-8-9-16(31)22(26)21(15)23(32)19-11-10-18(36-19)13-4-3-5-14(12-13)30-37(33,34)20-7-2-1-6-17(20)35-24(27,28)29/h1-12,30-31H
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n/an/a 38n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Rattus norvegicus)
BDBM50126973
PNG
(CHEMBL3629587)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1F
Show InChI InChI=1S/C24H14F5NO4S2/c25-16-8-9-17(31)22(26)21(16)23(32)19-11-10-18(35-19)13-4-3-5-14(12-13)30-36(33,34)20-7-2-1-6-15(20)24(27,28)29/h1-12,30-31H
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n/an/a 49n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50443290
PNG
(CHEMBL3088089)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@]34C)CN(Cc3ccccc3)[C@@H](Cc3ccccc3)C(=O)O5)[C@@H]1CCC2=O
Show InChI InChI=1S/C36H45NO3/c1-34-19-20-36(22-27(34)13-14-28-29-15-16-32(38)35(29,2)18-17-30(28)34)24-37(23-26-11-7-4-8-12-26)31(33(39)40-36)21-25-9-5-3-6-10-25/h3-12,27-31H,13-24H2,1-2H3/t27-,28-,29-,30-,31-,34-,35-,36+/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Laval University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in rat testes microsomal fraction using [14C]-4-androstene-3,17-dione as substrate assessed as testosterone formation after...


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50315879
PNG
(1,5-bis(4-ethoxyphenyl)penta-1,4-dien-3-one | CHEM...)
Show SMILES CCOc1ccc(\C=C\C(=O)\C=C\c2ccc(OCC)cc2)cc1
Show InChI InChI=1S/C21H22O3/c1-3-23-20-13-7-17(8-14-20)5-11-19(22)12-6-18-9-15-21(16-10-18)24-4-2/h5-16H,3-4H2,1-2H3/b11-5+,12-6+
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n/an/a 70n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50111764
PNG
(CHEMBL3605212)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@]34C)CN(CC(=O)O5)C(=O)c3ccc(cc3)C(F)(F)F)[C@@H]1CCC2=O
Show InChI InChI=1S/C22H35N5O9/c23-10-14-18(31)19(32)21(35-14)36-15(11-24-5-2-7-26-6-1-3-17(26)30)13-9-12(28)20(34-13)27-8-4-16(29)25-22(27)33/h4,8,12-15,18-21,24,28,31-32H,1-3,5-7,9-11,23H2,(H,25,29,33)/t12-,13+,14-,15+,18-,19-,20-,21+/m1/s1
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n/an/a 88n/an/an/an/an/an/a



CHU de Qu£bec-Research Center (CHUL)

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in rat testes microsomes using [14C]-4-androstene-3,17-dione as substrate after 2 hrs


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM17639
PNG
((1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethylt...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
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/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



CHU de Qu£bec-Research Center (CHUL)

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in rat testes microsomes using [14C]-4-androstene-3,17-dione as substrate after 2 hrs


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50266759
PNG
((1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-on...)
Show SMILES Fc1ccc(\C=C\C(=O)\C=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H12F2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+
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School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM91713
PNG
(Androst-4-en-3,17-dione, 2 | Androst-4-ene-3,17-di...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H26O2/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/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
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n/an/a 169n/an/an/an/an/an/a



CHU de Qu£bec-Research Center (CHUL)

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in rat testes microsomes using [14C]-4-androstene-3,17-dione as substrate after 2 hrs


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50315878
PNG
(2,5-bis(3-bromobenzylidene)cyclopentanone | CHEMBL...)
Show SMILES Brc1cccc(\C=C2/CC\C(=C/c3cccc(Br)c3)C2=O)c1
Show InChI InChI=1S/C19H14Br2O/c20-17-5-1-3-13(11-17)9-15-7-8-16(19(15)22)10-14-4-2-6-18(21)12-14/h1-6,9-12H,7-8H2/b15-9+,16-10+
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n/an/a 700n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in Sprague-Dawley rat testis microsomes


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50315880
PNG
(1,5-bis(4-(tetrahydro-2H-pyran-3-yloxy)phenyl)pent...)
Show SMILES O=C(\C=C\c1ccc(OC2CCCOC2)cc1)/C=C/c1ccc(OC2CCCOC2)cc1
Show InChI InChI=1S/C27H30O5/c28-23(11-5-21-7-13-24(14-8-21)31-26-3-1-17-29-19-26)12-6-22-9-15-25(16-10-22)32-27-4-2-18-30-20-27/h5-16,26-27H,1-4,17-20H2/b11-5+,12-6+
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n/an/a 1.30E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50241208
PNG
((2E,6E)-2,6-bis(3,4,5-trimethoxybenzylidene)cycloh...)
Show SMILES COc1cc(\C=C2/CCC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC
Show InChI InChI=1S/C26H30O7/c1-28-20-12-16(13-21(29-2)25(20)32-5)10-18-8-7-9-19(24(18)27)11-17-14-22(30-3)26(33-6)23(15-17)31-4/h10-15H,7-9H2,1-6H3/b18-10+,19-11+
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n/an/a 1.80E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in Sprague-Dawley rat testis microsomes


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in Sprague-Dawley rat testis microsomes


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50266759
PNG
((1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-on...)
Show SMILES Fc1ccc(\C=C\C(=O)\C=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H12F2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+
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n/an/a 3.30E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in Sprague-Dawley rat testis microsomes


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50315881
PNG
(1,5-bis(3-bromophenyl)penta-1,4-dien-3-one | CHEMB...)
Show SMILES Brc1cccc(\C=C\C(=O)\C=C\c2cccc(Br)c2)c1
Show InChI InChI=1S/C17H12Br2O/c18-15-5-1-3-13(11-15)7-9-17(20)10-8-14-4-2-6-16(19)12-14/h1-12H/b9-7+,10-8+
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n/an/a 8.50E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in Sprague-Dawley rat testis microsomes


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells


Citation and Details
More data for this
Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3


(Rattus norvegicus)
BDBM50241208
PNG
((2E,6E)-2,6-bis(3,4,5-trimethoxybenzylidene)cycloh...)
Show SMILES COc1cc(\C=C2/CCC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC
Show InChI InChI=1S/C26H30O7/c1-28-20-12-16(13-21(29-2)25(20)32-5)10-18-8-7-9-19(24(18)27)11-17-14-22(30-3)26(33-6)23(15-17)31-4/h10-15H,7-9H2,1-6H3/b18-10+,19-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells


Citation and Details
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