Approved Ligands
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Tamoxifen, Agonist of Estrogen receptor-α;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen receptor-β;Agonist of GPERCas#: 10540-29-1Formula: C26H29NO Molecular Weight: 371.51IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamineSMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-NInChI: InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-Synonyms: (Z)-Tamoxifen | ICI 47699 | trans-Tamoxifen
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Trilostane, 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type II inhibitorCas#: 13647-35-3 Compound CID: 656583Formula: C20H27NO3 Molecular Weight: 329.44IUPAC Name: (1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrileSMILES: CC12CCC3C(C1CCC2O)CCC45C3(CC(=C(C4O5)O)C#N)CInChIKey: KVJXBPDAXMEYOA-CXANFOAXSA-NInChI: InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1Synonyms: AB01274788_02 | Androstane-2-carbonitrile, 4,5-epoxy-17-hydroxy-3-oxo-, (2-alpha,4-alpha,5-alpha,17-beta)- | DTXCID10...
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MetyraponeCas#: 54-36-4 Compound CID: 4174Formula: C14H14N2O Molecular Weight: 226.27IUPAC Name: 2-methyl-1,2-dipyridin-3-ylpropan-1-oneSMILES: CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2InChIKey: FJLBFSROUSIWMA-UHFFFAOYSA-NInChI: InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3Synonyms: AMY832 | Metopiron | METOPIRONE (TN) | METYRAPONE [INN] | Metroprione | Methopyrinine | metyrapone | Tox21_110323_1 |...
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Diethylstilbestrol, Agonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen-related receptor-α;Antagonist of Estrogen-related receptor-β;Antagonist of Estrogen-related receptor-γCas#: 56-53-1 Compound CID: 448537Formula: C18H20O2 Molecular Weight: 268.35IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenolSMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)OInChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-NInChI: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+Synonyms: DES | 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | Diethylstilbesterol | Makarol | Stilbofolin | 4,4'-(Hex-3-ene...
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Fadrozole (CGS16949A), Inhibitor of CYP11B1;Inhibitor of CYP11B2;Inhibitor of CYP19A1Cas#: 102676-47-1 Compound CID: 59693Formula: C14H13N3 Molecular Weight: 223.27IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrileSMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#NInChIKey: CLPFFLWZZBQMAO-UHFFFAOYSA-NInChI: InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2Synonyms: (Rac)-FAD286 | CGS 16949A free base
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MetyraponeCas#: 54-36-4 Compound CID: 4174Formula: C14H14N2O Molecular Weight: 226.27IUPAC Name: 2-methyl-1,2-dipyridin-3-ylpropan-1-oneSMILES: CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2InChIKey: FJLBFSROUSIWMA-UHFFFAOYSA-NInChI: InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3Synonyms: metyrapone|54-36-4|2-Methyl-1,2-di-3-pyridyl-1-propanone|Metopirone|Methopyrapone|Metopiron|Methapyrapone|Methopirapo...
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Trilostane, 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type II inhibitorCas#: 13647-35-3 Compound CID: 656583Formula: C20H27NO3 Molecular Weight: 329.44IUPAC Name: (1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrileSMILES: CC12CCC3C(C1CCC2O)CCC45C3(CC(=C(C4O5)O)C#N)CInChIKey: KVJXBPDAXMEYOA-CXANFOAXSA-NInChI: InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1Synonyms: Trilostane|13647-35-3|Modrenal|Vetoryl|Desopan|Modrastane|Trilostano|Trilostanum|Win-24540|WIN 24,540|CHEBI:32260|UNI...
