BindingDB BDBM50000766 CHEMBL12::DIAZEPAM::US9271961, Diazepam

BDBM50000766 CHEMBL12::DIAZEPAM::US9271961, Diazepam

SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1

InChI Key InChIKey=AAOVKJBEBIDNHE-UHFFFAOYSA-N

Data 103 KI 18 IC50 5 Kd 11 EC50

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50000766

Gamma-aminobutyric acid receptor subunit alpha-5(RAT)
Universita Di Pisa

Curated by ChEMBL

BDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)

Ki: 9.80nMAssay Description:Displacement of [3H]flumazenil from rat GABA-Aalpha5beta3gamma2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

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CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB Patents Similars

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3D Structure (crystal)

Gamma-aminobutyric acid receptor subunit alpha-5(RAT)
Universita Di Pisa

Curated by ChEMBL

BDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)

Ki: 9.80nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Purchase ChEBI
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB Patents Similars

Details PubMed PDB

3D Structure (crystal)

Gamma-aminobutyric acid receptor subunit alpha-5(RAT)
Universita Di Pisa

Curated by ChEMBL

BDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)

Ki: 11nMAssay Description:Displacement of [3H]RO15-1788 from recombinant rat GABAalpha5 receptor expressed in HEK293 cells after 1 hrMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Purchase ChEBI
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article PubMed PDB

3D Structure (crystal)

Gamma-aminobutyric acid receptor subunit alpha-5(RAT)
Universita Di Pisa

Curated by ChEMBL

BDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)

Ki: 13.4nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Purchase ChEBI
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB Patents Similars

Details PubMed PDB

3D Structure (crystal)

Gamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
University of Sussex

Curated by ChEMBL

BDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)

Ki: 15nMAssay Description:Binding affinity to GABA-A alpha5 (unknown origin)More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase ChEBI
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article PubMed DrugBank
PDB

3D Structure (crystal)

Gamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
University of Sussex

Curated by ChEMBL

BDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)

Kd: 23nMAssay Description:Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

Purchase ChEBI
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article PubMed DrugBank
PDB

3D Structure (crystal)

Filter my 137 hits

Targets 37▿
- Gamma-aminobutyric acid receptor subunit alpha-1 17
- Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 11
- GABA-A receptor; alpha-2/beta-3/gamma-2 9
- Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 8
- Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 7
- Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2 7
- Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2 7
- GABA-A receptor; alpha-5/beta-3/gamma-2 7
- Gamma-aminobutyric acid receptor subunit alpha-5 6
- Platelet-derived growth factor receptor alpha/beta 6
- Gamma-aminobutyric acid receptor subunit alpha-2 6
- Gamma-aminobutyric acid type B receptor subunit 1 5
- Translocator protein 5
- Gamma-aminobutyric acid receptor subunit alpha-3 4
- Albumin 2
- Cholecystokinin 2
- Acetylcholinesterase 2
- Cholecystokinin receptor type A 2
- Fatty acid-binding protein, liver 2
- Cholinesterase 2
- Bile salt export pump 2
- Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 2
- Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor 2
- Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S 1
- Gamma-aminobutyric acid receptor subunit alpha-6 1
- Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 1
- Aldo-keto reductase family 1 member C1 1
- Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 1
- Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2 1
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- Aldo-keto reductase family 1 member C3 1
- Gamma-aminobutyric acid receptor subunit gamma-1 1
- Aldo-keto reductase family 1 member C2 1
- D(2) dopamine receptor 1
- D(1A) dopamine receptor 1
- Sodium channel protein type 1/2/3 subunit alpha 1
- ...
Publications 49▿
- J Med Chem 37: 4576-80 (1995) 8
- J Pharmacol Exp Ther 298: 753-68 (2001) 6
- J Pharmacol Exp Ther 256: 1154-60 (1991) 5
- J Med Chem 43: 71-95 (2000) 5
- J Med Chem 47: 1807-22 (2004) 4
- Biochem Pharmacol 55: 209-14 (1998) 4
- J Med Chem 49: 35-8 (2006) 4
- J Med Chem 46: 310-3 (2003) 4
- J Med Chem 63: 3425-3446 (2020) 4
- Eur J Med Chem 126: 298-352 (2017) 4
- Bioorg Med Chem Lett 62: (2022) 4
- J Med Chem 48: 1367-83 (2005) 4
- Bioorg Med Chem 18: 8374-82 (2010) 4
- J Med Chem 47: 3642-57 (2004) 4
- J Med Chem 39: 158-75 (1996) 3
- J Med Chem 52: 3723-34 (2009) 3
- Bioorg Med Chem Lett 10: 1381-4 (2000) 3
- Toxicol Sci 136: 216-41 (2013) 3
- Proc Natl Acad Sci U S A 83: 4918-22 (1986) 3
- US Patent US9271961 (2016) 3
- Science 245: 1389-92 (1989) 3
- J Pharmacol Exp Ther 266: 1018-28 (1993) 3
- J Med Chem 48: 7089-92 (2005) 3
- Bioorg Med Chem 15: 2573-86 (2007) 2
- Mol Pharmacol 49: 253-9 (1996) 2
- Life Sci 35: 1885-93 (1984) 2
- J Med Chem 51: 3788-803 (2008) 2
- J Med Chem 30: 1229-39 (1987) 2
- J Med Chem 51: 3755-64 (2008) 2
- J Med Chem 49: 1235-8 (2006) 2
- J Med Chem 45: 5710-20 (2002) 2
- J Med Chem 49: 2526-33 (2006) 2
- J Med Chem 31: 2235-46 (1989) 2
- J Pharmacol Exp Ther 279: 803-12 (1996) 1
- J Med Chem 39: 5246-56 (1997) 1
- Bioorg Med Chem 16: 6145-55 (2008) 1
- Bioorg Med Chem 24: 681-5 (2016) 1
- J Med Chem 38: 4730-8 (1995) 1
- J Med Chem 56: 593-624 (2013) 1
- J Med Chem 64: 3508-3545 (2021) 1
- J Med Chem 38: 4033-43 (1995) 1
- J Med Chem 37: 758-68 (1994) 1
- J Med Chem 23: 952-5 (1980) 1
- Eur J Med Chem 103: 210-22 (2015) 1
- Toxicol Sci 118: 485-500 (2010) 1
- Sci Rep 3: (2013) 1
- Drug Metab Dispos 39: 312-21 (2011) 1
- J Med Chem 48: 6887-96 (2005) 1
- J Med Chem 51: 2009-17 (2008) 1
Institutions 35▿
- Merck Sharp & Dohme Research Laboratories 14
- Merck Sharp And Dohme Research Laboratories 11
- University Of Wisconsin-Milwaukee 9
- Georgetown University 8
- Heidelberg 8
- Sanofi Synthelabo 6
- TBA 5
- University Of Firenze 4
- Amgen 4
- University of Sussex 4
- Merck Sharp Laboratory 4
- Upjohn Laboratories 4
- Università 4
- Tokyo Dental College 4
- University Of Kwazulu-Natal 4
- Astrazeneca Pharmaceuticals 4
- University of Pennsylvania 3
- Universita Di Pisa 3
- UniversitÄT Heidelberg 3
- Schering-Plough 2
- Moltech 2
- Monash University (Parkville Campus) 2
- Universit£ 2
- Lund University 2
- Leiden University 1
- Glaxosmithkline 1
- Chantest 1
- University Of Graz 1
- Pfizer 1
- Howard University 1
- Emory University 1
- Korea University Of Science And Technology (Ust) 1
- Harvard University 1
- Niddk 1
- Universitat De Barcelona 1
Affinity: 0.90 to 1.2E+8 nM▿
- Ki 103
- IC50 18
- Kd 5
- EC50 11
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1