Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'Testosterone 17-beta-dehydrogenase 3'   

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
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50350421 (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 |r| 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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/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				Bioorg Med Chem 23: 5433-51 (2015) BindingDB Entry DOI: 10.7270/Q20C4XHT
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50443289 (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 |r| 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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/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...				Bioorg Med Chem Lett 23: 6360-2 (2013) Article DOI: 10.1016/j.bmcl.2013.09.072 BindingDB Entry DOI: 10.7270/Q2KP83M4
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50443291 (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 |r| 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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/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...				Bioorg Med Chem Lett 23: 6360-2 (2013) Article DOI: 10.1016/j.bmcl.2013.09.072 BindingDB Entry DOI: 10.7270/Q2KP83M4
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50111763 (CHEMBL3605211) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@]3(CC[C@]12C)CN(CC(=O)O3)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| 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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/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				Bioorg Med Chem 23: 5433-51 (2015) BindingDB Entry DOI: 10.7270/Q20C4XHT
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Mus musculus)	BDBM50360767 (CHEMBL1934493) Show SMILES COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(O)c(Br)c2)C1=O Show InChI InChI=1S/C17H12BrNO3S2/c1-22-12-5-3-11(4-6-12)19-16(21)15(24-17(19)23)9-10-2-7-14(20)13(18)8-10/h2-9,20H,1H3/b15-9-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Chemical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in mouse testes homogenate				Bioorg Med Chem Lett 22: 504-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.095 BindingDB Entry DOI: 10.7270/Q2BG2PFD
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50443290 (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 |r| 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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/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...				Bioorg Med Chem Lett 23: 6360-2 (2013) Article DOI: 10.1016/j.bmcl.2013.09.072 BindingDB Entry DOI: 10.7270/Q2KP83M4
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50315879 (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+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50111764 (CHEMBL3605212) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@]3(CC[C@]12C)CN(CC(=O)O3)C(=O)c1ccc(cc1)C(F)(F)F |r| 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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/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				Bioorg Med Chem 23: 5433-51 (2015) BindingDB Entry DOI: 10.7270/Q20C4XHT
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM17639 ((1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethylt...) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C 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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/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				Bioorg Med Chem 23: 5433-51 (2015) BindingDB Entry DOI: 10.7270/Q20C4XHT
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50266759 ((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+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM91713 (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 |t:8| 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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/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				Bioorg Med Chem 23: 5433-51 (2015) BindingDB Entry DOI: 10.7270/Q20C4XHT
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50315878 (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+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in Sprague-Dawley rat testis microsomes				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50315880 (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+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50241208 ((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+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in Sprague-Dawley rat testis microsomes				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50067040 (((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 |w:12.11,5.4| 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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in Sprague-Dawley rat testis microsomes				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50266759 ((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+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in Sprague-Dawley rat testis microsomes				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50315881 (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+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in Sprague-Dawley rat testis microsomes				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50067040 (((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 |w:12.11,5.4| 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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
					More data for this Ligand-Target Pair
Testosterone 17-beta-dehydrogenase 3 (Rattus norvegicus)	BDBM50241208 ((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+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
					More data for this Ligand-Target Pair