BindingDB

null

SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

InChI Key InChIKey=DBEPLOCGEIEOCV-WSBQPABSSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50334788

3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM50334788((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...)copy SMILEScopy InChI

IC50: 52nMAssay Description:Inhibition of recombinant human Steroid 5-alpha-reductase type IMore data for this Ligand-Target Pair

UniProtKB/SwissProt
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PC cid PC sid PDB Patents Similars

Details
BindingDB Entry DOI: 10.7270/Q2G161G8PubMed

Targets 10 ▿
- 3-oxo-5-alpha-steroid 4-dehydrogenase 2 30
- 3-oxo-5-alpha-steroid 4-dehydrogenase 1 29
- 3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 3
- Bile salt export pump 3
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- ATP-binding cassette sub-family C member 2 1
- 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1 1
- Androgen receptor 1
- 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase 1
Publications 33 ▿
- J Med Chem 61: 5822-5880 (2018) 8
- J Med Chem 38: 2621-7 (1995) 4
- J Med Chem 45: 3406-17 (2002) 4
- Toxicol Sci 136: 216-41 (2013) 4
- J Med Chem 43: 4266-77 (2000) 4
- J Med Chem 40: 1293-315 (1997) 3
- J Med Chem 38: 1158-73 (1995) 2
- Eur J Med Chem 54: 728-39 (2012) 2
- J Med Chem 48: 2972-84 (2005) 2
- Bioorg Med Chem Lett 4: 2327-2330 (1994) 2
- J Med Chem 43: 3718-35 (2000) 2
- J Enzyme Inhib Med Chem 28: 1247-54 (2013) 2
- J Med Chem 40: 1112-29 (1997) 2
- Bioorg Med Chem 23: 7535-42 (2015) 2
- J Med Chem 37: 2352-60 (1994) 2
- J Med Chem 36: 421-3 (1993) 2
- Bioorg Med Chem Lett 11: 2361-3 (2001) 2
- Bioorg Med Chem 22: 6233-41 (2014) 2
- Bioorg Med Chem 24: 779-88 (2016) 2
- Bioorg Med Chem Lett 8: 2871-6 (1999) 2
- J Med Chem 29: 2298-315 (1986) 2
- J Med Chem 38: 1456-61 (1995) 2
- Bioorg Med Chem Lett 8: 1949-52 (1998) 2
- Bioorg Med Chem Lett 21: 2216-9 (2011) 1
- Bioorg Med Chem Lett 21: 475-8 (2010) 1
- Toxicol Sci 118: 485-500 (2010) 1
- Bioorg Med Chem Lett 21: 3439-42 (2011) 1
- US Patent US9061023 (2015) 1
- J Med Chem 38: 3189-92 (1995) 1
- Hepatology 60: 1015-22 (2014) 1
- J Med Chem 37: 3871-4 (1994) 1
- Bioorg Med Chem Lett 8: 409-14 (1999) 1
- J Med Chem 39: 5047-52 (1997) 1
Institutions 27 ▿
- [Bristol-Myers Squibb] 8
- [Universit£ di Firenze, Glaxo Inc. Research Institute] 6
- [Universit£ di Firenze, Glaxo Inc. Research Institute] 6
- [CHUL Research Center, TBA, Saarland University, Amgen Inc, University of the Saarland] 4
- [CHUL Research Center, TBA, Saarland University, Amgen Inc, University of the Saarland] 4
- [CHUL Research Center, TBA, Saarland University, Amgen Inc, University of the Saarland] 4
- [CHUL Research Center, TBA, Saarland University, Amgen Inc, University of the Saarland] 4
- [CHUL Research Center, TBA, Saarland University, Amgen Inc, University of the Saarland] 4
- [Pfizer Central Research] 3
- [Merck Research Laboratories, Lilly Research Laboratories, National University of Mexico City, National University of Mexico, University of Maryland, Universidad Nacional Aut£noma de M£xico, Seoul National University, University Institute of Pharmaceutical Sciences, Panjab University, Chinese Academy of Science] 2
- [Merck Research Laboratories, Lilly Research Laboratories, National University of Mexico City, National University of Mexico, University of Maryland, Universidad Nacional Aut£noma de M£xico, Seoul National University, University Institute of Pharmaceutical Sciences, Panjab University, Chinese Academy of Science] 2
- [Merck Research Laboratories, Lilly Research Laboratories, National University of Mexico City, National University of Mexico, University of Maryland, Universidad Nacional Aut£noma de M£xico, Seoul National University, University Institute of Pharmaceutical Sciences, Panjab University, Chinese Academy of Science] 2
- [Merck Research Laboratories, Lilly Research Laboratories, National University of Mexico City, National University of Mexico, University of Maryland, Universidad Nacional Aut£noma de M£xico, Seoul National University, University Institute of Pharmaceutical Sciences, Panjab University, Chinese Academy of Science] 2
- [Merck Research Laboratories, Lilly Research Laboratories, National University of Mexico City, National University of Mexico, University of Maryland, Universidad Nacional Aut£noma de M£xico, Seoul National University, University Institute of Pharmaceutical Sciences, Panjab University, Chinese Academy of Science] 2
- [Merck Research Laboratories, Lilly Research Laboratories, National University of Mexico City, National University of Mexico, University of Maryland, Universidad Nacional Aut£noma de M£xico, Seoul National University, University Institute of Pharmaceutical Sciences, Panjab University, Chinese Academy of Science] 2
- [Merck Research Laboratories, Lilly Research Laboratories, National University of Mexico City, National University of Mexico, University of Maryland, Universidad Nacional Aut£noma de M£xico, Seoul National University, University Institute of Pharmaceutical Sciences, Panjab University, Chinese Academy of Science] 2
- [Merck Research Laboratories, Lilly Research Laboratories, National University of Mexico City, National University of Mexico, University of Maryland, Universidad Nacional Aut£noma de M£xico, Seoul National University, University Institute of Pharmaceutical Sciences, Panjab University, Chinese Academy of Science] 2
- [Merck Research Laboratories, Lilly Research Laboratories, National University of Mexico City, National University of Mexico, University of Maryland, Universidad Nacional Aut£noma de M£xico, Seoul National University, University Institute of Pharmaceutical Sciences, Panjab University, Chinese Academy of Science] 2
- [Merck Research Laboratories, Lilly Research Laboratories, National University of Mexico City, National University of Mexico, University of Maryland, Universidad Nacional Aut£noma de M£xico, Seoul National University, University Institute of Pharmaceutical Sciences, Panjab University, Chinese Academy of Science] 2
- [Jilin University, Stony Brook University, Pfizer Inc., Kingston University, CSIR, College of Chemical and Environmental Engineering, Kyowa Hakko Kogyo Co., Ltd., Amgen Inc.] 1
- [Jilin University, Stony Brook University, Pfizer Inc., Kingston University, CSIR, College of Chemical and Environmental Engineering, Kyowa Hakko Kogyo Co., Ltd., Amgen Inc.] 1
- [Jilin University, Stony Brook University, Pfizer Inc., Kingston University, CSIR, College of Chemical and Environmental Engineering, Kyowa Hakko Kogyo Co., Ltd., Amgen Inc.] 1
- [Jilin University, Stony Brook University, Pfizer Inc., Kingston University, CSIR, College of Chemical and Environmental Engineering, Kyowa Hakko Kogyo Co., Ltd., Amgen Inc.] 1
- [Jilin University, Stony Brook University, Pfizer Inc., Kingston University, CSIR, College of Chemical and Environmental Engineering, Kyowa Hakko Kogyo Co., Ltd., Amgen Inc.] 1
- [Jilin University, Stony Brook University, Pfizer Inc., Kingston University, CSIR, College of Chemical and Environmental Engineering, Kyowa Hakko Kogyo Co., Ltd., Amgen Inc.] 1
- [Jilin University, Stony Brook University, Pfizer Inc., Kingston University, CSIR, College of Chemical and Environmental Engineering, Kyowa Hakko Kogyo Co., Ltd., Amgen Inc.] 1
- [Jilin University, Stony Brook University, Pfizer Inc., Kingston University, CSIR, College of Chemical and Environmental Engineering, Kyowa Hakko Kogyo Co., Ltd., Amgen Inc.] 1
Affinity: 0.18 to 6.3E+5 nM▿
- Ki 8
- IC50 63
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1