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ChEMBL ligand: CHEMBL110739 (11-b,21-Dihydroxypregn-3,20-dione, 17-Deoxycortisol, Corticosteron, Corticosterone, Kendall's compound b, NSC-9705, Preg-4-ene-3,20-dione,11-b,21-dihydroxy-, Reichstein's substance h) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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3-beta-hydroxysteroid-delta(8),delta(7)-isomerase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4931] [UniProtKB: Q15125] | ||||||||
ChEMBL | Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand | B | 4 | pKi | >100000 | nM | Ki | J Med Chem (2005) 48: 4754-4764 [PMID:16033255] |
Androgen receptor/Androgen Receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207] | ||||||||
ChEMBL | Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) | B | 4.63 | pIC50 | 23442.29 | nM | IC50 | J Med Chem (2005) 48: 5666-5674 [PMID:16134935] |
C-8 sterol isomerase in Saccharomyces cerevisiae S288c (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3224] [UniProtKB: P32352] | ||||||||
ChEMBL | Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand | B | 4 | pKi | >100000 | nM | Ki | J Med Chem (2005) 48: 4754-4764 [PMID:16033255] |
Corticosteroid binding globulin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2421] [UniProtKB: P08185] | ||||||||
ChEMBL | In silico binding affinity to human corticosteriod binding globulin | B | 6.88 | pKd | 6.88 | - | -Log Kdiss | J Med Chem (1997) 40: 3161-3172 [PMID:9379435] |
ChEMBL | Binding affinity to human CBG receptor (corticosteroid-binding globulins) | B | 7.2 | pKi | 63.1 | nM | Ki | J Med Chem (2004) 47: 2732-2742 [PMID:15139751] |
ChEMBL | Binding affinity to human CBG receptor (corticosteroid-binding globulins) | B | 7.88 | pKi | 13.18 | nM | Ki | J Med Chem (2004) 47: 2732-2742 [PMID:15139751] |
Mineralocorticoid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1994] [GtoPdb: 626] [UniProtKB: P08235] | ||||||||
ChEMBL | Binding affinity to MR (unknown origin) | B | 9.3 | pKd | 0.5 | nM | Kd | J Med Chem (2017) 60: 2629-2650 [PMID:28051871] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay | F | 4.9 | pIC50 | 12589.25 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay | F | 5 | pIC50 | 10000 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay | F | 5 | pIC50 | 10000 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720] | ||||||||
ChEMBL | Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand | B | 4.45 | pKi | 35600 | nM | Ki | J Med Chem (2005) 48: 4754-4764 [PMID:16033255] |
Organic cation transporter 1/Solute carrier family 22 member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells | F | 5.15 | pKi | 7020 | nM | Ki | J Pharmacol Exp Ther (1998) 286: 354-361 [PMID:9655880] |
ChEMBL | TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells | F | 4.66 | pIC50 | 21700 | nM | IC50 | Br J Pharmacol (2002) 136: 829-836 [PMID:12110607] |
Organic cation transporter 1/Solute carrier family 22 member 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073670] [GtoPdb: 1019] [UniProtKB: Q63089] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells | F | 4.14 | pKi | 72000 | nM | Ki | Naunyn Schmiedebergs Arch Pharmacol (1996) 354: 320-326 [PMID:8878062] |
ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes | F | 5 | pKi | >10000 | nM | Ki | Nature (1994) 372: 549-552 [PMID:7990927] |
Organic cation transporter 2/Solute carrier family 22 member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT2-expressing HEK293 cells | F | 4.47 | pIC50 | 34200 | nM | IC50 | Br J Pharmacol (2002) 136: 829-836 [PMID:12110607] |
Organic cation transporter 2/Solute carrier family 22 member 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1770032] [GtoPdb: 1020] [UniProtKB: Q9R0W2] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of Serotonin uptake in OCT2-expressing HEK293 cells | F | 6.22 | pKi | 605 | nM | Ki | J Biol Chem (1998) 273: 30915-30920 [PMID:9812985] |
ChEMBL | TP_TRANSPORTER: inhibition of Noradrenaline uptake in OCT2-expressing HEK293 cells | F | 6.34 | pKi | 460 | nM | Ki | J Biol Chem (1998) 273: 30915-30920 [PMID:9812985] |
ChEMBL | TP_TRANSPORTER: inhibition of Adrenaline uptake in OCT2-expressing HEK293 cells | F | 6.38 | pKi | 420 | nM | Ki | J Biol Chem (1998) 273: 30915-30920 [PMID:9812985] |
ChEMBL | TP_TRANSPORTER: inhibition of Dopamine uptake in OCT2-expressing HEK293 cells | F | 6.41 | pKi | 390 | nM | Ki | J Biol Chem (1998) 273: 30915-30920 [PMID:9812985] |
ChEMBL | TP_TRANSPORTER: inhibition pramipexole uptake in rOCT2-injected oocytes | F | 4.97 | pIC50 | 10700 | nM | IC50 | Drug Metab Dispos (2005) 33: 495-499 [PMID:15640376] |
ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM) in OCT2-expressing HRPE cells | F | 5.38 | pIC50 | 4200 | nM | IC50 | J Biol Chem (1998) 273: 32776-32786 [PMID:9830022] |
ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes | F | 5.4 | pIC50 | 4000 | nM | IC50 | Am J Physiol Renal Physiol (2001) 281: F454-F468 [PMID:11502595] |
Organic cation transporter 3/Solute carrier family 22 member 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073673] [GtoPdb: 1021] [UniProtKB: O75751] | ||||||||
ChEMBL | Inhibition of the Organic Cation Transporter 3 (OCT3, SLC22A3) as assessed by a phenotypic impedance-based assay detecting changes in cell morphology by MPP+ uptake in HEK-293 JumpIN-SLC22A3 cells (PubChem AID: 1745861) | F | 5.8 | pIC50 | 1600 | nM | IC50 | Int J Mol Sci (2022) 23: 1203-null [PMID:35163125] |
ChEMBL | TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells | F | 6.54 | pIC50 | 290 | nM | IC50 | Br J Pharmacol (2002) 136: 829-836 [PMID:12110607] |
Organic cation transporter 3/Solute carrier family 22 member 3 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1770033] [GtoPdb: 1021] [UniProtKB: O88446] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM) in OCT3-expressing HRPE cells | F | 5.31 | pIC50 | 4900 | nM | IC50 | J Biol Chem (1998) 273: 32776-32786 [PMID:9830022] |
Solute carrier organic anion transporter family member 1A1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1781859] [UniProtKB: P46720] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells | F | 5.28 | pKi | 5300 | nM | Ki | Am J Physiol (1996) 270: F326-F331 [PMID:8779894] |
Testis-specific androgen-binding protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3305] [UniProtKB: P04278] | ||||||||
ChEMBL | Binding affinity towards human testosterone binding globulin. | B | 5.34 | pKd | 5.34 | - | -Log Kdiss | J Med Chem (1997) 40: 3161-3172 [PMID:9379435] |
ChEMBL | Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin | B | 6.34 | pKd | 457.09 | nM | Kd | J Med Chem (2008) 51: 2047-2056 [PMID:18330978] |
Glucocorticoid receptor in Mouse [GtoPdb: 625] [UniProtKB: P06537] | ||||||||
GtoPdb | - | - | 7.2 | pIC50 | - | - | - |
Eur J Pharmacol (1993) 247: 145-54 [PMID:8282004]; FEBS Lett (1999) 464: 9-13 [PMID:10611474]; J Biol Chem (2000) 275: 19041-9 [PMID:10747884] |
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]