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ChEMBL ligand: CHEMBL710 (Aindeem, Finasteride, MK-906, NSC-741485, NSC-759318, Propecia, Proscar, Prostide) |
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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 dehydrogenase/delta 5-->4-isomerase type I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1958] [UniProtKB: P14060] | ||||||||
ChEMBL | Binding affinity for 3-beta-hydroxysteroid dehydrogenase | B | 4.96 | pKi | 11000 | nM | Ki | J. Med. Chem. (1997) 40: 1293-1315 [PMID:9135028] |
Androgen receptor/Androgen Receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207] | ||||||||
ChEMBL | In vitro antagonist activity against rat prostatic androgen receptor (AR) | F | 4 | pIC50 | >100000 | nM | IC50 | J. Med. Chem. (1986) 29: 2298-2315 [PMID:3783591] |
CYP2C19/Cytochrome P450 2C19 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3622] [GtoPdb: 1328] [UniProtKB: P33261] | ||||||||
ChEMBL | DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 6 | pIC50 | 1000 | nM | IC50 | DrugMatrix in vitro pharmacology data |
CYP2C9/Cytochrome P450 2C9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3397] [GtoPdb: 1326] [UniProtKB: P11712] | ||||||||
ChEMBL | DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 5.7 | pIC50 | 2000 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
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] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay | F | 5.1 | pIC50 | 7943.28 | nM | IC50 | Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910] |
Steroid 5-alpha-reductase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1787] [UniProtKB: P18405] | ||||||||
ChEMBL | Inhibitory activity against recombinant Steroid 5-alpha-reductase type I expressed in CHO cells | B | 6.44 | pKi | 366 | nM | Ki | J. Med. Chem. (2000) 43: 3718-3735 [PMID:11020287] |
ChEMBL | Binding affinity for human 5 alpha reductase 1 isozyme | B | 6.82 | pKi | 150 | nM | Ki | J. Med. Chem. (1997) 40: 1293-1315 [PMID:9135028] |
ChEMBL | Apparent inhibition constant towards human Steroid 5-alpha-reductase type I | B | 7 | pKi | 100 | nM | Ki | Bioorg. Med. Chem. Lett. (1994) 4: 2327-2330 |
ChEMBL | Inhibitory activity against 5-alpha-reductase type 1 in cell culture system using LNCaP cells (androgen-sensitive human prostatic cancer cell line) | B | 4.28 | pIC50 | 53000 | nM | IC50 | Bioorg. Med. Chem. Lett. (2001) 11: 2361-2364 [PMID:11527731] |
ChEMBL | Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells using [3H]testosterone. | B | 6.04 | pIC50 | 911 | nM | IC50 | J. Med. Chem. (2004) 47: 3546-3560 [PMID:15214782] |
ChEMBL | Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 1 from recombinant CHO cells | B | 6.04 | pIC50 | 911 | nM | IC50 | Bioorg. Med. Chem. Lett. (1998) 8: 2871-2876 [PMID:9873639] |
ChEMBL | Inhibition of human type 1 5alpha reductase expressed in HEK293 cells | B | 6.19 | pIC50 | 650 | nM | IC50 | J Med Chem (2018) 61: 5822-5880 [PMID:29400967] |
ChEMBL | Inhibition of Human steroid 5-alpha-reductase type I expressed in HEK293 cells | B | 6.27 | pIC50 | 540 | nM | IC50 | J. Med. Chem. (2000) 43: 4266-4277 [PMID:11063622] |
ChEMBL | Inhibitory activity against type-1 human steroid 5-alpha-reductase. | B | 6.3 | pIC50 | 500 | nM | IC50 | Bioorg. Med. Chem. Lett. (1996) 6: 481-484 |
ChEMBL | Inhibition of human 5alpha-1 reductase expressed in HEK293 cells assessed as suppression of conversion of [3]androstenedione incubated for 30 mins by radioactivity-based HPLC analysis | B | 6.34 | pIC50 | 453 | nM | IC50 | Bioorg. Med. Chem. (2016) 24: 779-788 [PMID:26780831] |
ChEMBL | Inhibition of human type-1 5-alpha reductase expressed in HEK293 cells using [3H]-androstenedione as substrate after 30 mins by HPLC analysis | B | 6.34 | pIC50 | 453 | nM | IC50 | Eur. J. Med. Chem. (2012) 54: 728-739 [PMID:22776417] |
ChEMBL | Inhibition of steroid 5-alpha reductase type 1 expressed in HEK 293 cells | B | 6.34 | pIC50 | 453 | nM | IC50 | Bioorg. Med. Chem. Lett. (2007) 17: 3603-3607 [PMID:17490876] |
ChEMBL | In vitro inhibition of human Steroid 5-alpha-reductase type I in transfected 293 cells using [3H]- delta4-Androstenedione as substrate | B | 6.66 | pIC50 | 218 | nM | IC50 | J. Med. Chem. (1995) 38: 1456-1461 [PMID:7739004] |
ChEMBL | Inhibition of human type 1 5alpha reductase | B | 6.82 | pIC50 | 150 | nM | IC50 | J Med Chem (2018) 61: 5822-5880 [PMID:29400967] |
ChEMBL | Binding affinity to recombinant human Steroid 5-alpha-reductase type I was evaluated | B | 6.82 | pIC50 | 150 | nM | IC50 | J. Med. Chem. (1995) 38: 2621-2627 [PMID:7629802] |
ChEMBL | In vitro inhibitory activity against human type 1 5-alpha reductase | B | 6.82 | pIC50 | 150 | nM | IC50 | J. Med. Chem. (1994) 37: 2352-2360 [PMID:8057283] |
ChEMBL | Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after pre-incubation for 10 minutes | B | 6.82 | pIC50 | 150 | nM | IC50 | J. Med. Chem. (1993) 36: 4313-4315 [PMID:8277514] |
ChEMBL | Compound was tested for inhibition of Type I 5-alpha-reductase in Human genital skin (Hs68) foreskin fibroblast cells. | B | 7.21 | pIC50 | 62 | nM | IC50 | J. Med. Chem. (1993) 36: 421-423 [PMID:8381185] |
ChEMBL | Inhibition of [1-beta-3H]-androstenedione binding to human steroid 5-alpha-reductase type I expressed in DU-145 cells at 10 uM | F | 7.22 | pIC50 | 60 | nM | IC50 | J. Med. Chem. (2005) 48: 2972-2984 [PMID:15828836] |
ChEMBL | Inhibition of recombinant human Steroid 5-alpha-reductase type I | B | 7.28 | pIC50 | 52 | nM | IC50 | J. Med. Chem. (1995) 38: 3189-3192 [PMID:7650670] |
ChEMBL | Inhibition of type 1 steroid-5-alpha-reductase | B | 7.28 | pIC50 | 52 | nM | IC50 | J. Med. Chem. (1994) 37: 3871-3874 [PMID:7966146] |
ChEMBL | Inhibition of type 1 5alpha reductase in human prostate | B | 7.28 | pIC50 | 52 | nM | IC50 | J Med Chem (2018) 61: 5822-5880 [PMID:29400967] |
ChEMBL | In vitro inhibitory activity against Steroid 5-alpha-reductase type I of human DU 145 prostatic tumor cell line | B | 7.39 | pIC50 | 41 | nM | IC50 | J. Med. Chem. (2002) 45: 3406-3417 [PMID:12139451] |
ChEMBL | Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type I in human DU-145 cell assay at 5 nM of androstenedione | B | 7.4 | pIC50 | 40 | nM | IC50 | J. Med. Chem. (2000) 43: 4266-4277 [PMID:11063622] |
ChEMBL | In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells | B | 7.58 | pIC50 | 26.3 | nM | IC50 | J. Med. Chem. (1995) 38: 1158-1173 [PMID:7707319] |
Steroid 5-alpha-reductase 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3422] [UniProtKB: P24008] | ||||||||
ChEMBL | Inhibition of recombinant Steroid 5-alpha-reductase type I was evaluated as binding affinity (in vitro) | B | 8.17 | pKi | 6.8 | nM | Ki | J. Med. Chem. (1995) 38: 2621-2627 [PMID:7629802] |
ChEMBL | Compound was tested for its inhibitory potency against rat Steroid 5-alpha-reductase type 1 expressed in transformed yeast Saccharomyces cerevisiae | B | 4.4 | pIC50 | 40000 | nM | IC50 | Bioorg. Med. Chem. Lett. (1996) 6: 1997-2002 |
ChEMBL | Inhibition of type 1 5alpha reductase in rat prostate | B | 7.52 | pIC50 | 30 | nM | IC50 | J Med Chem (2018) 61: 5822-5880 [PMID:29400967] |
ChEMBL | Inhibition of Steroid 5-alpha-reductase type I from rat ventral prostate (RVP) | B | 8 | pIC50 | 10 | nM | IC50 | J. Med. Chem. (2002) 45: 3406-3417 [PMID:12139451] |
ChEMBL | Compound was tested for the inhibitory activity against Steroid 5-alpha-reductase type 1 in rat | B | 8.38 | pIC50 | 4.2 | nM | IC50 | Bioorg. Med. Chem. Lett. (1998) 8: 409-414 [PMID:9871588] |
steroid 5 alpha-reductase 2/Steroid 5-alpha-reductase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1856] [GtoPdb: 2633] [UniProtKB: P31213] | ||||||||
ChEMBL | Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2 | B | 8.7 | pKi | 2 | nM | Ki | Bioorg. Med. Chem. Lett. (1994) 4: 2327-2330 |
ChEMBL | Inhibition of Human steroid 5-alpha-reductase type II expressed in HEK293 cells | B | 7.22 | pIC50 | 60 | nM | IC50 | J. Med. Chem. (2000) 43: 4266-4277 [PMID:11063622] |
ChEMBL | Inhibition of type 2 5alpha reductase in human prostate | B | 7.24 | pIC50 | 58 | nM | IC50 | J Med Chem (2018) 61: 5822-5880 [PMID:29400967] |
ChEMBL | Inhibitory activity against human 5-alpha Reductase-1 expressed in DU-145 cells | B | 7.38 | pIC50 | 42 | nM | IC50 | J. Med. Chem. (1997) 40: 1112-1129 [PMID:9089333] |
ChEMBL | Inhibition of human 5alpha-2 reductase expressed in HEK293 cells assessed as suppression of conversion of [3]androstenedione incubated for 30 mins by radioactivity-based HPLC analysis | B | 7.4 | pIC50 | 40 | nM | IC50 | Bioorg. Med. Chem. (2016) 24: 779-788 [PMID:26780831] |
ChEMBL | Inhibition of human prostate 5alpha-reductase type 2 assessed as formation dihydrotestosterone from [4-14C] testosterone | B | 7.46 | pIC50 | 35 | nM | IC50 | Bioorg. Med. Chem. Lett. (2011) 21: 475-478 [PMID:21094046] |
ChEMBL | Inhibition of human type-2 5-alpha reductase expressed in HEK293 cells using [3H]-androstenedione as substrate after 30 mins by HPLC analysis | B | 7.52 | pIC50 | 30.3 | nM | IC50 | Eur. J. Med. Chem. (2012) 54: 728-739 [PMID:22776417] |
ChEMBL | In Vitro Inhibition Assay: This work was performed at the MDS Pharma Services, Pharmacology Laboratories, Taiwan. The assay was an in vitro evaluation of the ability of an extract or a pure compound to inhibit the steroid 5alpha -reductase enzyme from metabolizing testosterone into dihydrotestosterone. This is an enzyme-immunoassay (EIA) for quantitative determination of testosterone in human serum or plasma. The significance of this type of inhibition is that it can lead to eradication of benign prostatic hyperplasia (BPH). Two distinct isozymes are found in mice, rats, monkeys and humans: type 1 and II. Each of these isozymes is differentially expressed in tissues and developmental stages. In human, type 1 steroid 5alpha -reductase is predominant in the sebaceous glands of most regions of skin, including scalp and liver and is responsible for approximately one third of circulating DHT. Inhibitors of steroid 5alpha -reductase may be of benefit in the treatment of androgenetic alopecia. | B | 7.6 | pIC50 | 25 | nM | IC50 | US-9061023-B2. Management and treatment of benign prostatic hyperplasia (2015) |
ChEMBL | Inhibition of steroid 5-alpha reductase type 2 expressed in HEK 293 cells | B | 7.6 | pIC50 | 25 | nM | IC50 | Bioorg. Med. Chem. Lett. (2007) 17: 3603-3607 [PMID:17490876] |
ChEMBL | Inhibitory concentration against human recombinant steroid 5-alpha-reductase type 2 in stably transfected chinese hamster ovary 1827 cells using [3H]testosterone | B | 7.68 | pIC50 | 21 | nM | IC50 | J. Med. Chem. (2004) 47: 3546-3560 [PMID:15214782] |
GtoPdb | - | - | 7.84 | pIC50 | 14.6 | nM | IC50 | J Med Chem (1986) 29: 2298-315 [PMID:3783591] |
ChEMBL | Compound was tested for inhibition of Type II 5-alpha-reductase in Human Prostate Homogenates (HPH). | B | 8 | pIC50 | 10 | nM | IC50 | J. Med. Chem. (1993) 36: 421-423 [PMID:8381185] |
ChEMBL | Inhibition of human prostate type 2 5alpha-reductase assessed as transformation of testosterone to dihydrotestosterone | B | 8.07 | pIC50 | 8.5 | nM | IC50 | Bioorg. Med. Chem. (2015) 23: 7535-7542 [PMID:26631442] |
ChEMBL | Inhibition of human prostate 5alpha-reductase type 2 assessed as conversion of [3H]testosterone to dihydrotestosterone | B | 8.07 | pIC50 | 8.5 | nM | IC50 | Bioorg. Med. Chem. (2014) 22: 6233-6241 [PMID:25261928] |
ChEMBL | In vitro inhibition of human Steroid 5-alpha-reductase type 2 in transfected SW-13 cells using [3H]- delta4-Androstenedione as substrate | B | 8.07 | pIC50 | 8.47 | nM | IC50 | J. Med. Chem. (1995) 38: 1456-1461 [PMID:7739004] |
ChEMBL | Inhibition of Steroid 5-alpha-reductase type 2 from human benign prostatic hyperplasia (BPH) tissue | B | 8.3 | pIC50 | 5 | nM | IC50 | J. Med. Chem. (2002) 45: 3406-3417 [PMID:12139451] |
ChEMBL | In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells | B | 8.34 | pIC50 | 4.53 | nM | IC50 | J. Med. Chem. (1995) 38: 1158-1173 [PMID:7707319] |
ChEMBL | Inhibitory activity against type-2 human steroid 5-alpha-reductase. | B | 8.38 | pIC50 | 4.2 | nM | IC50 | Bioorg. Med. Chem. Lett. (1996) 6: 481-484 |
ChEMBL | Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type 2 from human BPH tissue at 210 nM of testosterone | B | 8.52 | pIC50 | 3 | nM | IC50 | J. Med. Chem. (2000) 43: 4266-4277 [PMID:11063622] |
ChEMBL | Inhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue | B | 8.52 | pIC50 | 3 | nM | IC50 | J. Med. Chem. (1997) 40: 1112-1129 [PMID:9089333] |
ChEMBL | Inhibitory activity against steroid 5-alpha-reductase type 2 in human prostate homogenates | B | 8.66 | pIC50 | 2.2 | nM | IC50 | J. Med. Chem. (2000) 43: 3718-3735 [PMID:11020287] |
ChEMBL | Inhibition of [1-beta-2beta-3H]- -testosterone binding to human steroid 5-alpha-reductase type 2 of BPH tissue at 10 uM | F | 8.7 | pIC50 | 2 | nM | IC50 | J. Med. Chem. (2005) 48: 2972-2984 [PMID:15828836] |
ChEMBL | Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 2 receptor from human prostate homogenates | B | 8.92 | pIC50 | 1.2 | nM | IC50 | Bioorg. Med. Chem. Lett. (1998) 8: 2871-2876 [PMID:9873639] |
ChEMBL | Inhibition of human type 2 5alpha reductase expressed in HEK293 cells | B | 8.92 | pIC50 | 1.2 | nM | IC50 | J Med Chem (2018) 61: 5822-5880 [PMID:29400967] |
ChEMBL | Inhibition of human type 2 5alpha reductase | B | 9.74 | pIC50 | 0.18 | nM | IC50 | J Med Chem (2018) 61: 5822-5880 [PMID:29400967] |
ChEMBL | Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after pre-incubation for 10 minutes | B | 9.74 | pIC50 | 0.18 | nM | IC50 | J. Med. Chem. (1993) 36: 4313-4315 [PMID:8277514] |
ChEMBL | Inhibitory activity measured on human steroid 5-alpha-reductase type 2 | B | 9.74 | pIC50 | 0.18 | nM | IC50 | J. Med. Chem. (1995) 38: 2621-2627 [PMID:7629802] |
ChEMBL | In vitro inhibitory activity against human type 2 5-alpha reductase | B | 9.74 | pIC50 | 0.18 | nM | IC50 | J. Med. Chem. (1994) 37: 2352-2360 [PMID:8057283] |
ChEMBL | Binding affinity for human 5-alpha reductase 2 isozyme | B | 9.74 | pIC50 | 0.18 | nM | IC50 | J. Med. Chem. (1997) 40: 1293-1315 [PMID:9135028] |
ChEMBL | Inhibition of recombinant human Steroid 5-alpha-reductase type 2 | B | 10 | pIC50 | <0.1 | nM | IC50 | J. Med. Chem. (1995) 38: 3189-3192 [PMID:7650670] |
ChEMBL | Inhibition of type 2 steroid-5-alpha-reductase | B | 10 | pIC50 | <0.1 | nM | IC50 | J. Med. Chem. (1994) 37: 3871-3874 [PMID:7966146] |
steroid 5 alpha-reductase 2/Steroid 5-alpha-reductase 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5099] [GtoPdb: 2633] [UniProtKB: P31214] | ||||||||
ChEMBL | Compound was tested in vitro for inhibitory activity against type 2 5-alpha reductase Isozyme homogenated from rat epididymis | F | 5.68 | pIC50 | 2100 | nM | IC50 | J. Med. Chem. (1996) 39: 5047-5052 [PMID:8978835] |
ChEMBL | Inhibition of rat 5-alpha-reductase type 2 by Lineweaver-Burk plot | B | 6.83 | pIC50 | 147.49 | nM | IC50 | Bioorg. Med. Chem. Lett. (2011) 21: 3439-3442 [PMID:21515045] |
ChEMBL | Inhibition of type 2 5alpha reductase in rat prostate | B | 7.49 | pIC50 | 32 | nM | IC50 | J Med Chem (2018) 61: 5822-5880 [PMID:29400967] |
ChEMBL | Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP) | B | 7.96 | pIC50 | 11 | nM | IC50 | J. Med. Chem. (2002) 45: 3406-3417 [PMID:12139451] |
ChEMBL | Inhibitory activity was measured on rat Steroid 5-alpha-reductase type 2 | B | 9.55 | pIC50 | 0.28 | nM | IC50 | J. Med. Chem. (1995) 38: 2621-2627 [PMID:7629802] |
ChEMBL data shown on this page come from version 31:
Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]