BindingDB

null

SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O

InChI Key InChIKey=MCMMCRYPQBNCPH-WMIMKTLMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 21008

Delta-type opioid receptor(Rattus norvegicus (rat))
R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP K_i Database

BDBM21008((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)copy SMILEScopy InChI

Ki: 4.45nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2R20ZVXPubMed

Mu-type opioid receptor(Rattus norvegicus (rat))
R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP K_i Database

BDBM21008((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)copy SMILEScopy InChI

Ki: 380nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2R20ZVXPubMed

Sodium-dependent serotonin transporter(Rattus norvegicus (rat))
R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP K_i Database

BDBM21008((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)copy SMILEScopy InChI

Ki: >1.00E+4nMMore data for this Ligand-Target Pair

PDB KEGG
UniProtKB/SwissProt
GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2R20ZVXPubMed

Norepinephrine transporter(RAT)
R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP K_i Database

BDBM21008((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)copy SMILEScopy InChI

Ki: >1.00E+4nMMore data for this Ligand-Target Pair

UniProtKB/TrEMBL
GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2R20ZVXPubMed

Kappa-type opioid receptor(Rattus norvegicus (rat))
R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP K_i Database

BDBM21008((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)copy SMILEScopy InChI

Ki: >1.00E+4nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

Purchase CHEMBL MCE
PC cid PC sid Similars

Details
BindingDB Entry DOI: 10.7270/Q2R20ZVXPubMed

Targets 8 ▿
- Delta-type opioid receptor 42
- Mu-type opioid receptor 13
- Kappa-type opioid receptor 7
- Sodium-dependent serotonin transporter 1
- Cannabinoid receptor 1 1
- Neuropeptides B/W receptor type 1 1
- Norepinephrine transporter 1
- CB1 cannabinoid receptor-interacting protein 1 1
Publications 31 ▿
- NIDA Res Monogr 178: 440-66 (1998) 10
- J Pharmacol Exp Ther 274: 1263-70 (1995) 5
- Bioorg Med Chem Lett 17: 2656-60 (2007) 4
- Mol Pharmacol 45: 330-4 (1994) 3
- J Med Chem 59: 9255-9261 (2016) 3
- J Pharmacol Exp Ther 270: 1246-55 (1994) 3
- J Pharmacol Exp Ther 286: 1007-13 (1998) 2
- Peptides 19: 1091-8 (1998) 2
- ACS Med Chem Lett 8: 449-454 (2017) 2
- J Med Chem 50: 3138-3142 (2007) 2
- Brain Res 753: 219-24 (1997) 2
- J Pharmacol Exp Ther 301: 661-71 (2002) 1
- Bioorg Med Chem 24: 5280-5290 (2016) 1
- Bioorg Med Chem Lett 27: 666-669 (2017) 1
- J Med Chem 59: 8381-97 (2016) 1
- J Med Chem 61: 5751-5757 (2018) 1
- J Med Chem 49: 2868-75 (2006) 1
- Bioorg Med Chem 25: 2406-2422 (2017) 1
- J Med Chem 51: 1369-76 (2008) 1
- J Med Chem 50: 5528-32 (2007) 1
- J Med Chem 63: 433-439 (2020) 1
- Genomics 28: 84-91 (1995) 1
- Bioorg Med Chem Lett 25: 2927-30 (2015) 1
- ACS Med Chem Lett 7: 391-6 (2016) 1
- Bioorg Med Chem 24: 2832-42 (2016) 1
- Bioorg Med Chem 25: 471-482 (2017) 1
- Eur J Med Chem 109: 276-86 (2016) 1
- Eur J Med Chem 126: 202-217 (2017) 1
- Mol Pharmacol 31: 326-33 (1987) 1
- Bioorg Med Chem Lett 25: 5532-5 (2015) 1
- Bioorg Med Chem 24: 1582-8 (2016) 1
Institutions 25 ▿
- [SRI International] 10
- [R.W. Johnson Pharmaceutical Research Institute, Memorial Sloan-Kettering Cancer Center] 5
- [R.W. Johnson Pharmaceutical Research Institute, Memorial Sloan-Kettering Cancer Center] 5
- [University of Bologna, Adolor Corporation] 4
- [University of Bologna, Adolor Corporation] 4
- [University of Pennsylvania, University of Arizona at Tucson] 3
- [University of Pennsylvania, University of Arizona at Tucson] 3
- [State University of New York at Old Westbury, Universita degli Studi, University of Catania, Hungarian Academy of Sciences, Medical University of Lodz, Universit£ di Chieti-Pescara"G. d'Annunzio"] 2
- [State University of New York at Old Westbury, Universita degli Studi, University of Catania, Hungarian Academy of Sciences, Medical University of Lodz, Universit£ di Chieti-Pescara"G. d'Annunzio"] 2
- [State University of New York at Old Westbury, Universita degli Studi, University of Catania, Hungarian Academy of Sciences, Medical University of Lodz, Universit£ di Chieti-Pescara"G. d'Annunzio"] 2
- [State University of New York at Old Westbury, Universita degli Studi, University of Catania, Hungarian Academy of Sciences, Medical University of Lodz, Universit£ di Chieti-Pescara"G. d'Annunzio"] 2
- [State University of New York at Old Westbury, Universita degli Studi, University of Catania, Hungarian Academy of Sciences, Medical University of Lodz, Universit£ di Chieti-Pescara"G. d'Annunzio"] 2
- [State University of New York at Old Westbury, Universita degli Studi, University of Catania, Hungarian Academy of Sciences, Medical University of Lodz, Universit£ di Chieti-Pescara"G. d'Annunzio"] 2
- [University of Florida, National Health Research Institutes, Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al, Kitasato University, Fudan University, Addiction Research Foundation, University of Arkansas, The University of Iowa, Burroughs Wellcome Company, Memorial Sloan Kettering Cancer Center , Jagiellonian University Medical College, West Virginia University School of Pharmacy] 1
- [University of Florida, National Health Research Institutes, Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al, Kitasato University, Fudan University, Addiction Research Foundation, University of Arkansas, The University of Iowa, Burroughs Wellcome Company, Memorial Sloan Kettering Cancer Center , Jagiellonian University Medical College, West Virginia University School of Pharmacy] 1
- [University of Florida, National Health Research Institutes, Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al, Kitasato University, Fudan University, Addiction Research Foundation, University of Arkansas, The University of Iowa, Burroughs Wellcome Company, Memorial Sloan Kettering Cancer Center , Jagiellonian University Medical College, West Virginia University School of Pharmacy] 1
- [University of Florida, National Health Research Institutes, Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al, Kitasato University, Fudan University, Addiction Research Foundation, University of Arkansas, The University of Iowa, Burroughs Wellcome Company, Memorial Sloan Kettering Cancer Center , Jagiellonian University Medical College, West Virginia University School of Pharmacy] 1
- [University of Florida, National Health Research Institutes, Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al, Kitasato University, Fudan University, Addiction Research Foundation, University of Arkansas, The University of Iowa, Burroughs Wellcome Company, Memorial Sloan Kettering Cancer Center , Jagiellonian University Medical College, West Virginia University School of Pharmacy] 1
- [University of Florida, National Health Research Institutes, Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al, Kitasato University, Fudan University, Addiction Research Foundation, University of Arkansas, The University of Iowa, Burroughs Wellcome Company, Memorial Sloan Kettering Cancer Center , Jagiellonian University Medical College, West Virginia University School of Pharmacy] 1
- [University of Florida, National Health Research Institutes, Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al, Kitasato University, Fudan University, Addiction Research Foundation, University of Arkansas, The University of Iowa, Burroughs Wellcome Company, Memorial Sloan Kettering Cancer Center , Jagiellonian University Medical College, West Virginia University School of Pharmacy] 1
- [University of Florida, National Health Research Institutes, Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al, Kitasato University, Fudan University, Addiction Research Foundation, University of Arkansas, The University of Iowa, Burroughs Wellcome Company, Memorial Sloan Kettering Cancer Center , Jagiellonian University Medical College, West Virginia University School of Pharmacy] 1
- [University of Florida, National Health Research Institutes, Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al, Kitasato University, Fudan University, Addiction Research Foundation, University of Arkansas, The University of Iowa, Burroughs Wellcome Company, Memorial Sloan Kettering Cancer Center , Jagiellonian University Medical College, West Virginia University School of Pharmacy] 1
- [University of Florida, National Health Research Institutes, Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al, Kitasato University, Fudan University, Addiction Research Foundation, University of Arkansas, The University of Iowa, Burroughs Wellcome Company, Memorial Sloan Kettering Cancer Center , Jagiellonian University Medical College, West Virginia University School of Pharmacy] 1
- [University of Florida, National Health Research Institutes, Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al, Kitasato University, Fudan University, Addiction Research Foundation, University of Arkansas, The University of Iowa, Burroughs Wellcome Company, Memorial Sloan Kettering Cancer Center , Jagiellonian University Medical College, West Virginia University School of Pharmacy] 1
- [University of Florida, National Health Research Institutes, Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al, Kitasato University, Fudan University, Addiction Research Foundation, University of Arkansas, The University of Iowa, Burroughs Wellcome Company, Memorial Sloan Kettering Cancer Center , Jagiellonian University Medical College, West Virginia University School of Pharmacy] 1
Affinity: 0.10 to 1.0E+4 nM▿
- Ki 45
- IC50 4
- Kd 3
- EC50 18
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1