Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'teutsch' and Initial = 'g'   

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
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50366682 (CHEMBL1627395) Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3CC[C@]12C)C(O)=O Show InChI InChI=1S/C26H37NO3/c1-15(2)27(16(3)4)24(28)23-11-10-22-21-9-6-17-14-18(25(29)30)7-8-19(17)20(21)12-13-26(22,23)5/h7-8,14-16,20-23H,6,9-13H2,1-5H3,(H,29,30)/t20-,21-,22+,23-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates				Bioorg Med Chem Lett 11: 1713-6 (2001) BindingDB Entry DOI: 10.7270/Q2ZC83C9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50471264 (CHEMBL1627893) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)C[C@H](CCCCBr)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C22H31BrO2/c1-22-13-15(4-2-3-11-23)21-17-8-6-16(24)12-14(17)5-7-18(21)19(22)9-10-20(22)25/h6,8,12,15,18-21,24-25H,2-5,7,9-11,13H2,1H3/t15-,18-,19-,20-,21+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Unit� 439 Curated by ChEMBL					Assay Description Compound concentration required to induce transcriptional activation in MVLN cells equal to 50% of 0.1 nM estradiol response				J Med Chem 40: 2217-27 (1997) Article DOI: 10.1021/jm970019l BindingDB Entry DOI: 10.7270/Q20G3NVN
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50471259 (CHEMBL1627458) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)C[C@H](CCCCCCCCCCOS(=O)(=O)c1ccc(C)cc1)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C35H50O5S/c1-25-12-16-29(17-13-25)41(38,39)40-22-10-8-6-4-3-5-7-9-11-27-24-35(2)32(20-21-33(35)37)31-18-14-26-23-28(36)15-19-30(26)34(27)31/h12-13,15-17,19,23,27,31-34,36-37H,3-11,14,18,20-22,24H2,1-2H3/t27-,31-,32-,33-,34+,35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Unit� 439 Curated by ChEMBL					Assay Description Compound concentration required to induce transcriptional activation in MVLN cells equal to 50% of 0.1 nM estradiol response				J Med Chem 40: 2217-27 (1997) Article DOI: 10.1021/jm970019l BindingDB Entry DOI: 10.7270/Q20G3NVN
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50471260 (CHEMBL1628165) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)C[C@H](CCCCOS(C)(=O)=O)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C23H34O5S/c1-23-14-16(5-3-4-12-28-29(2,26)27)22-18-9-7-17(24)13-15(18)6-8-19(22)20(23)10-11-21(23)25/h7,9,13,16,19-22,24-25H,3-6,8,10-12,14H2,1-2H3/t16-,19-,20-,21-,22+,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Unit� 439 Curated by ChEMBL					Assay Description Compound concentration required to induce transcriptional activation in MVLN cells equal to 50% of 0.1 nM estradiol response				J Med Chem 40: 2217-27 (1997) Article DOI: 10.1021/jm970019l BindingDB Entry DOI: 10.7270/Q20G3NVN
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50471266 (CHEMBL303196) Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCO)c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-27(2)18-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-19-28)21-9-5-3-6-10-21/h3-16,28H,17-20H2,1-2H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Unit� 439 Curated by ChEMBL					Assay Description Compound concentration required to induce transcriptional activation in MVLN cells equal to 50% of 0.1 nM estradiol response				J Med Chem 40: 2217-27 (1997) Article DOI: 10.1021/jm970019l BindingDB Entry DOI: 10.7270/Q20G3NVN
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50101143 (4'-[(Diisopropylcarbamoyl)-methoxy]-5'-fluoro-3'-n...) Show SMILES CC(C)N(C(C)C)C(=O)COc1c(F)cc(cc1[N+]([O-])=O)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H23FN2O6/c1-12(2)23(13(3)4)19(25)11-30-20-17(22)9-16(10-18(20)24(28)29)14-5-7-15(8-6-14)21(26)27/h5-10,12-13H,11H2,1-4H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates				Bioorg Med Chem Lett 11: 1713-6 (2001) BindingDB Entry DOI: 10.7270/Q2ZC83C9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10045 ((2R,15S)-15-methyl-2-[2-(methylsulfanyl)ethyl]tetr...) Show SMILES CSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:9,t:24| Show InChI InChI=1S/C21H28O2S/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-24-2/h8,13,16-17H,3-7,9-12H2,1-2H3/t16?,17?,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10046 ((2S,15S)-15-methyl-2-[2-(methylsulfanyl)ethyl]tetr...) Show SMILES CSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:9| Show InChI InChI=1S/C21H30O2S/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-24-2/h13,16-18H,3-12H2,1-2H3/t16?,17?,18?,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50101145 ((4aR,6aS,7S,11aR)-4a,6a-Dimethyl-2-oxo-hexadecahyd...) Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC[C@H]4NC(=O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C25H42N2O2/c1-15(2)27(16(3)4)23(29)20-9-8-18-17-7-10-21-25(6,14-12-22(28)26-21)19(17)11-13-24(18,20)5/h15-21H,7-14H2,1-6H3,(H,26,28)/t17?,18?,19?,20-,21-,24+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates				Bioorg Med Chem Lett 11: 1713-6 (2001) BindingDB Entry DOI: 10.7270/Q2ZC83C9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10044 ((2S,15S)-15-methyl-2-[(methylsulfanyl)methyl]tetra...) Show SMILES CSC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:8| Show InChI InChI=1S/C20H28O2S/c1-19-9-8-17-15(16(19)5-6-18(19)22)4-3-13-11-14(21)7-10-20(13,17)12-23-2/h11,15-17H,3-10,12H2,1-2H3/t15?,16?,17?,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10064 ((2R,15S)-2-[2-(ethenylsulfanyl)ethyl]-15-methyltet...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC=C)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C22H28O2S/c1-3-25-13-12-22-11-8-16(23)14-15(22)4-5-17-18-6-7-20(24)21(18,2)10-9-19(17)22/h3,9,14,17-18H,1,4-8,10-13H2,2H3/t17?,18?,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10069 ((2R,15S)-2-{2-[(fluoromethyl)sulfanyl]ethyl}-15-me...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCF)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C21H27FO2S/c1-20-8-7-18-16(17(20)4-5-19(20)24)3-2-14-12-15(23)6-9-21(14,18)10-11-25-13-22/h7,12,16-17H,2-6,8-11,13H2,1H3/t16?,17?,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50101155 (4'-[(Diisopropylcarbamoyl)-methoxy]-3',5'-diisopro...) Show SMILES CC(C)N(C(C)C)C(=O)COc1c(cc(cc1C(C)C)-c1ccc(cc1)C(O)=O)C(C)C Show InChI InChI=1S/C27H37NO4/c1-16(2)23-13-22(20-9-11-21(12-10-20)27(30)31)14-24(17(3)4)26(23)32-15-25(29)28(18(5)6)19(7)8/h9-14,16-19H,15H2,1-8H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates				Bioorg Med Chem Lett 11: 1713-6 (2001) BindingDB Entry DOI: 10.7270/Q2ZC83C9
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50101154 (5'-Fluoro-3'-nitro-4'-[(trityl-carbamoyl)-methoxy]...) Show SMILES OC(=O)c1ccc(cc1)-c1cc(F)c(OCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C34H25FN2O6/c35-29-20-25(23-16-18-24(19-17-23)33(39)40)21-30(37(41)42)32(29)43-22-31(38)36-34(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-21H,22H2,(H,36,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates				Bioorg Med Chem Lett 11: 1713-6 (2001) BindingDB Entry DOI: 10.7270/Q2ZC83C9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10063 ((2R,15S)-15-methyl-2-[2-(prop-2-en-1-ylsulfanyl)et...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCC=C)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C23H30O2S/c1-3-13-26-14-12-23-11-8-17(24)15-16(23)4-5-18-19-6-7-21(25)22(19,2)10-9-20(18)23/h3,9,15,18-19H,1,4-8,10-14H2,2H3/t18?,19?,22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50471262 (CHEMBL1628147) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)C[C@H](CCCCNC(=O)CBr)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C24H34BrNO3/c1-24-13-16(4-2-3-11-26-22(29)14-25)23-18-8-6-17(27)12-15(18)5-7-19(23)20(24)9-10-21(24)28/h6,8,12,16,19-21,23,27-28H,2-5,7,9-11,13-14H2,1H3,(H,26,29)/t16-,19-,20-,21-,23+,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Unit� 439 Curated by ChEMBL					Assay Description Compound concentration required to induce transcriptional activation in MVLN cells equal to 50% of 0.1 nM estradiol response				J Med Chem 40: 2217-27 (1997) Article DOI: 10.1021/jm970019l BindingDB Entry DOI: 10.7270/Q20G3NVN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10068 ((2R,15S)-2-[2-(ethynylsulfanyl)ethyl]-15-methyltet...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC#C)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C22H26O2S/c1-3-25-13-12-22-11-8-16(23)14-15(22)4-5-17-18-6-7-20(24)21(18,2)10-9-19(17)22/h1,9,14,17-18H,4-8,10-13H2,2H3/t17?,18?,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50101153 (4'-[(Diisopropylcarbamoyl)-methoxy]-3'-ethyl-biphe...) Show SMILES CCc1cc(ccc1OCC(=O)N(C(C)C)C(C)C)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H29NO4/c1-6-17-13-20(18-7-9-19(10-8-18)23(26)27)11-12-21(17)28-14-22(25)24(15(2)3)16(4)5/h7-13,15-16H,6,14H2,1-5H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates				Bioorg Med Chem Lett 11: 1713-6 (2001) BindingDB Entry DOI: 10.7270/Q2ZC83C9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10054 ((2R,15S)-15-methyl-2-[2-(phenylsulfanyl)ethyl]tetr...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSc3ccccc3)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C26H30O2S/c1-25-13-12-23-21(22(25)9-10-24(25)28)8-7-18-17-19(27)11-14-26(18,23)15-16-29-20-5-3-2-4-6-20/h2-6,12,17,21-22H,7-11,13-16H2,1H3/t21?,22?,25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10062 ((2R,15S)-15-methyl-2-(2-{[(methylsulfanyl)methyl]s...) Show SMILES CSCSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:11,t:26| Show InChI InChI=1S/C22H30O2S2/c1-21-9-8-19-17(18(21)5-6-20(21)24)4-3-15-13-16(23)7-10-22(15,19)11-12-26-14-25-2/h8,13,17-18H,3-7,9-12,14H2,1-2H3/t17?,18?,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50101146 (4'-[(Diisopropylcarbamoyl)-methoxy]-2-trifluoromet...) Show SMILES CC(C)N(C(C)C)C(=O)COc1ccc(cc1)-c1ccc(cc1C(F)(F)F)C(O)=O Show InChI InChI=1S/C22H24F3NO4/c1-13(2)26(14(3)4)20(27)12-30-17-8-5-15(6-9-17)18-10-7-16(21(28)29)11-19(18)22(23,24)25/h5-11,13-14H,12H2,1-4H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates				Bioorg Med Chem Lett 11: 1713-6 (2001) BindingDB Entry DOI: 10.7270/Q2ZC83C9
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50101149 (4'-[(Diisopropylcarbamoyl)-methoxy]-biphenyl-4-car...) Show SMILES CC(C)N(C(C)C)C(=O)COc1ccc(cc1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H25NO4/c1-14(2)22(15(3)4)20(23)13-26-19-11-9-17(10-12-19)16-5-7-18(8-6-16)21(24)25/h5-12,14-15H,13H2,1-4H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates				Bioorg Med Chem Lett 11: 1713-6 (2001) BindingDB Entry DOI: 10.7270/Q2ZC83C9
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50101156 (2-Chloro-4'-[(diisopropylcarbamoyl)-methoxy]-biphe...) Show SMILES CC(C)N(C(C)C)C(=O)COc1ccc(cc1)-c1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C21H24ClNO4/c1-13(2)23(14(3)4)20(24)12-27-17-8-5-15(6-9-17)18-10-7-16(21(25)26)11-19(18)22/h5-11,13-14H,12H2,1-4H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates				Bioorg Med Chem Lett 11: 1713-6 (2001) BindingDB Entry DOI: 10.7270/Q2ZC83C9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10047 ((2R,15S)-2-[2-(ethylsulfanyl)ethyl]-15-methyltetra...) Show SMILES CCSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25| Show InChI InChI=1S/C22H30O2S/c1-3-25-13-12-22-11-8-16(23)14-15(22)4-5-17-18-6-7-20(24)21(18,2)10-9-19(17)22/h9,14,17-18H,3-8,10-13H2,1-2H3/t17?,18?,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10071 ((2R,15S)-2-[2,2-bis(methylsulfanyl)ethyl]-15-methy...) Show SMILES CSC(C[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21)SC |r,c:9,t:24| Show InChI InChI=1S/C22H30O2S2/c1-21-10-9-18-16(17(21)6-7-19(21)24)5-4-14-12-15(23)8-11-22(14,18)13-20(25-2)26-3/h9,12,16-17,20H,4-8,10-11,13H2,1-3H3/t16?,17?,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10072 ((2R,15S)-2-[2,2-bis(ethylsulfanyl)ethyl]-15-methyl...) Show SMILES CCSC(C[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21)SCC |r,c:10,t:25| Show InChI InChI=1S/C24H34O2S2/c1-4-27-22(28-5-2)15-24-13-10-17(25)14-16(24)6-7-18-19-8-9-21(26)23(19,3)12-11-20(18)24/h11,14,18-19,22H,4-10,12-13,15H2,1-3H3/t18?,19?,23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10053 ((2R,15S)-15-methyl-2-[2-(phenylselanyl)ethyl]tetra...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CC[Se]c3ccccc3)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C26H30O2Se/c1-25-13-12-23-21(22(25)9-10-24(25)28)8-7-18-17-19(27)11-14-26(18,23)15-16-29-20-5-3-2-4-6-20/h2-6,12,17,21-22H,7-11,13-16H2,1H3/t21?,22?,25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10059 ((2R,15S)-2-{2-[(difluoromethyl)sulfanyl]ethyl}-15-...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC(F)F)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C21H26F2O2S/c1-20-8-7-17-15(16(20)4-5-18(20)25)3-2-13-12-14(24)6-9-21(13,17)10-11-26-19(22)23/h7,12,15-16,19H,2-6,8-11H2,1H3/t15?,16?,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10061 ((2R,15S)-15-methyl-2-[2-(prop-2-yn-1-ylsulfanyl)et...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCC#C)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C23H28O2S/c1-3-13-26-14-12-23-11-8-17(24)15-16(23)4-5-18-19-6-7-21(25)22(19,2)10-9-20(18)23/h1,9,15,18-19H,4-8,10-14H2,2H3/t18?,19?,22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10058 ((2R,15S)-15-methyl-2-{2-[(2-sulfanylethyl)sulfanyl...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCS)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C22H30O2S2/c1-21-8-7-19-17(18(21)4-5-20(21)24)3-2-15-14-16(23)6-9-22(15,19)10-12-26-13-11-25/h7,14,17-18,25H,2-6,8-13H2,1H3/t17?,18?,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10060 ((2R,15S)-2-{2-[(2,4-dinitrophenyl)disulfanyl]ethyl...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSSc3ccc(cc3N(=O)=O)N(=O)=O)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C26H28N2O6S2/c1-25-10-9-21-19(20(25)5-7-24(25)30)4-2-16-14-18(29)8-11-26(16,21)12-13-35-36-23-6-3-17(27(31)32)15-22(23)28(33)34/h3,6,9,14-15,19-20H,2,4-5,7-8,10-13H2,1H3/t19?,20?,25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10057 ((2R,15S)-2-{2-[(2-chloroethyl)sulfanyl]ethyl}-15-m...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCCl)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C22H29ClO2S/c1-21-8-7-19-17(18(21)4-5-20(21)25)3-2-15-14-16(24)6-9-22(15,19)10-12-26-13-11-23/h7,14,17-18H,2-6,8-13H2,1H3/t17?,18?,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10065 ((2R,15S)-15-methyl-2-[2-(methyldisulfanyl)ethyl]te...) Show SMILES CSSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25| Show InChI InChI=1S/C21H28O2S2/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-25-24-2/h8,13,16-17H,3-7,9-12H2,1-2H3/t16?,17?,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10066 ((2R,15S)-15-methyl-2-[2-(phenyldisulfanyl)ethyl]te...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSSc3ccccc3)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C26H30O2S2/c1-25-13-12-23-21(22(25)9-10-24(25)28)8-7-18-17-19(27)11-14-26(18,23)15-16-29-30-20-5-3-2-4-6-20/h2-6,12,17,21-22H,7-11,13-16H2,1H3/t21?,22?,25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10067 ((2R,15S)-2-[2-(cyclopropylsulfanyl)ethyl]-15-methy...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC3CC3)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C23H30O2S/c1-22-10-9-20-18(19(22)6-7-21(22)25)5-2-15-14-16(24)8-11-23(15,20)12-13-26-17-3-4-17/h9,14,17-19H,2-8,10-13H2,1H3/t18?,19?,22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10056 ((2R,15S)-2-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-15-...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCO)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C22H30O3S/c1-21-8-7-19-17(18(21)4-5-20(21)25)3-2-15-14-16(24)6-9-22(15,19)10-12-26-13-11-23/h7,14,17-18,23H,2-6,8-13H2,1H3/t17?,18?,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10070 (({2-[(2R,15S)-15-methyl-5,14-dioxotetracyclo[8.7.0...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC#N)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C21H25NO2S/c1-20-8-7-18-16(17(20)4-5-19(20)24)3-2-14-12-15(23)6-9-21(14,18)10-11-25-13-22/h7,12,16-17H,2-6,8-11H2,1H3/t16?,17?,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50101144 (4'-[(Diisopropylcarbamoyl)-methoxy]-2'-ethyl-biphe...) Show SMILES CCc1cc(OCC(=O)N(C(C)C)C(C)C)ccc1-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H29NO4/c1-6-17-13-20(28-14-22(25)24(15(2)3)16(4)5)11-12-21(17)18-7-9-19(10-8-18)23(26)27/h7-13,15-16H,6,14H2,1-5H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates				Bioorg Med Chem Lett 11: 1713-6 (2001) BindingDB Entry DOI: 10.7270/Q2ZC83C9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10043 ((2R,15S)-15-methyl-2-(methylsulfanyl)tetracyclo[8....) Show SMILES CS[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:7,t:22| Show InChI InChI=1S/C19H24O2S/c1-18-9-8-16-14(15(18)5-6-17(18)21)4-3-12-11-13(20)7-10-19(12,16)22-2/h8,11,14-15H,3-7,9-10H2,1-2H3/t14?,15?,18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10048 ((2R,15S)-15-methyl-2-[3-(methylsulfanyl)propyl]tet...) Show SMILES CSCCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25| Show InChI InChI=1S/C22H30O2S/c1-21-11-9-19-17(18(21)6-7-20(21)24)5-4-15-14-16(23)8-12-22(15,19)10-3-13-25-2/h9,14,17-18H,3-8,10-13H2,1-2H3/t17?,18?,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10049 ((2R,15S)-2-[2-(dimethylamino)ethyl]-15-methyltetra...) Show SMILES CN(C)CC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25| Show InChI InChI=1S/C22H31NO2/c1-21-10-9-19-17(18(21)6-7-20(21)25)5-4-15-14-16(24)8-11-22(15,19)12-13-23(2)3/h9,14,17-18H,4-8,10-13H2,1-3H3/t17?,18?,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10050 ((2R,15S)-2-(2-methoxyethyl)-15-methyltetracyclo[8....) Show SMILES COCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:9,t:24| Show InChI InChI=1S/C21H28O3/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-24-2/h8,13,16-17H,3-7,9-12H2,1-2H3/t16?,17?,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10051 ((2R,15S)-2-(2-iodoethyl)-15-methyltetracyclo[8.7.0...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCI)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C20H25IO2/c1-19-8-7-17-15(16(19)4-5-18(19)23)3-2-13-12-14(22)6-9-20(13,17)10-11-21/h7,12,15-16H,2-6,8-11H2,1H3/t15?,16?,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10052 (19-Heteromethyl-Substituted Androstenedione Analog...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCOS(C)(=O)=O)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C21H28O5S/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-26-27(2,24)25/h8,13,16-17H,3-7,9-12H2,1-2H3/t16?,17?,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50101151 (4'-[(Diisopropylcarbamoyl)-methoxy]-2,6-dimethyl-b...) Show SMILES CC(C)N(C(C)C)C(=O)COc1ccc(cc1)-c1c(C)cc(cc1C)C(O)=O Show InChI InChI=1S/C23H29NO4/c1-14(2)24(15(3)4)21(25)13-28-20-9-7-18(8-10-20)22-16(5)11-19(23(26)27)12-17(22)6/h7-12,14-15H,13H2,1-6H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates				Bioorg Med Chem Lett 11: 1713-6 (2001) BindingDB Entry DOI: 10.7270/Q2ZC83C9
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50101150 (2',6'-Dichloro-4'-[(diisopropylcarbamoyl)-methoxy]...) Show SMILES CC(C)N(C(C)C)C(=O)COc1cc(Cl)c(c(Cl)c1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H23Cl2NO4/c1-12(2)24(13(3)4)19(25)11-28-16-9-17(22)20(18(23)10-16)14-5-7-15(8-6-14)21(26)27/h5-10,12-13H,11H2,1-4H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates				Bioorg Med Chem Lett 11: 1713-6 (2001) BindingDB Entry DOI: 10.7270/Q2ZC83C9
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50101148 (4'-[(Diisopropylcarbamoyl)-methoxy]-2,6-difluoro-b...) Show SMILES CC(C)N(C(C)C)C(=O)COc1ccc(cc1)-c1c(F)cc(cc1F)C(O)=O Show InChI InChI=1S/C21H23F2NO4/c1-12(2)24(13(3)4)19(25)11-28-16-7-5-14(6-8-16)20-17(22)9-15(21(26)27)10-18(20)23/h5-10,12-13H,11H2,1-4H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates				Bioorg Med Chem Lett 11: 1713-6 (2001) BindingDB Entry DOI: 10.7270/Q2ZC83C9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM10055 ((2R,15S)-2-[2-(acetylsulfanyl)ethyl]-15-methyltetr...) Show SMILES CC(=O)SCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:11,t:26| Show InChI InChI=1S/C22H28O3S/c1-14(23)26-12-11-22-10-7-16(24)13-15(22)3-4-17-18-5-6-20(25)21(18,2)9-8-19(17)22/h8,13,17-18H,3-7,9-12H2,1-2H3/t17?,18?,21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50101147 (2,6-Dichloro-4'-[(diisopropylcarbamoyl)-methoxy]-b...) Show SMILES CC(C)N(C(C)C)C(=O)COc1ccc(cc1)-c1c(Cl)cc(cc1Cl)C(O)=O Show InChI InChI=1S/C21H23Cl2NO4/c1-12(2)24(13(3)4)19(25)11-28-16-7-5-14(6-8-16)20-17(22)9-15(21(26)27)10-18(20)23/h5-10,12-13H,11H2,1-4H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates				Bioorg Med Chem Lett 11: 1713-6 (2001) BindingDB Entry DOI: 10.7270/Q2ZC83C9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50471261 (CHEMBL1627868) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)C[C@H](CCC=C)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C22H30O2/c1-3-4-5-15-13-22(2)19(10-11-20(22)24)18-8-6-14-12-16(23)7-9-17(14)21(15)18/h3,7,9,12,15,18-21,23-24H,1,4-6,8,10-11,13H2,2H3/t15-,18-,19-,20-,21+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a
INSERM Unit� 439 Curated by ChEMBL					Assay Description Compound concentration required to induce transcriptional activation in MVLN cells comparable to 50% of 0.1 nM estradiol response				J Med Chem 40: 2217-27 (1997) Article DOI: 10.1021/jm970019l BindingDB Entry DOI: 10.7270/Q20G3NVN
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 52 total )  |  Next  |  Last  >>

Jump to: