2-Methoxyestradiol [Ligand Id: 12058] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL299613 (2-methoxyestradiol, 2-methoxyoestradiol, NSC-659853)
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  • Testis-specific androgen-binding protein in Human [ChEMBL: CHEMBL3305] [UniProtKB: P04278]
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  • GPER in Human [GtoPdb: 221] [UniProtKB: Q99527]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678]
ChEMBL Inhibition of recombinant CYP1B1 (unknown origin) expressed in Escherichia coli DH5alphaF'Iq coexpressing human NADPH-P450 reductase using E2-d4 as substrate after 10 mins in presence of NADP+ B 4.44 pKi 36000 nM Ki Eur J Med Chem (2017) 135: 296-306 [PMID:28458135]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay F 4.9 pIC50 12589.25 nM IC50 Nat Chem Biol (2009) 5: 765-771 [PMID:19734910]
Testis-specific androgen-binding protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3305] [UniProtKB: P04278]
ChEMBL Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin B 9.08 pKd 0.83 nM Kd J Med Chem (2008) 51: 2047-2056 [PMID:18330978]
Tubulin in Bovine (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111464] [UniProtKB: Q6B856, Q862F3]
ChEMBL Inhibition of polymerization of purified bovine tubulin F 5.85 pIC50 1400 nM IC50 J Med Chem (2000) 43: 2419-2429 [PMID:10882369]
Tubulin beta chain in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3394] [UniProtKB: Q6B856]
ChEMBL Inhibitory concentration against bovine brain tubulin polymerization F 5.28 pIC50 5300 nM IC50 J Med Chem (2004) 47: 5126-5139 [PMID:15456256]
ChEMBL In vitro inhibition of tubulin polymerization. B 5.54 pIC50 2900 nM IC50 J Med Chem (1995) 38: 2041-2049 [PMID:7783135]
GPER in Human [GtoPdb: 221] [UniProtKB: Q99527]
GtoPdb Specific binding affinity of [3H]2ME2 to GPER in vitro - 8 pKd 10 nM Kd Eur J Pharmacol (2014) 723: 131-40 [PMID:24262995]

ChEMBL data shown on this page come from version 32:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]