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ChEMBL ligand: CHEMBL299613 (2-methoxyestradiol, 2-methoxyoestradiol, NSC-659853) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511] | ||||||||
ChEMBL | Inhibition of aromatase in human placental microsomes using [1beta-3H]AD as substrate incubated for 20 mins in presence of NADPH | B | 4.7 | pIC50 | 19998.62 | nM | IC50 | Eur J Med Chem (2020) 208: 112845-112845 [PMID:33017749] |
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 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]