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

InChI Key InChIKey=AAOVKJBEBIDNHE-UHFFFAOYSA-N

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50000766   

TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
The Trustees of the University of Pennsylvania

US Patent
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 8.40E+4nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6B22US Patent
TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
The Trustees of the University of Pennsylvania

US Patent
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 2.40E+3nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6B22US Patent
TargetAldo-keto reductase family 1 member C1(Homo sapiens (Human))
The Trustees of the University of Pennsylvania

US Patent
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 5.60E+3nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q27W6B22US Patent
TargetCholecystokinin receptor type A(Cavia porcellus)
TBA

Curated by ChEMBL
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Half-maximal inhibition of [125I]CCK-33 binding to guinea pig brain(cortex) cholecystokinin receptorMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2SF2WS2PubMed
TargetGamma-aminobutyric acid receptor subunit gamma-1(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Anxiolytic activity by displacement of [3H]diazepam from GABA-A receptor in rat synaptosomal membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q25X27ZPPubMed
TargetTranslocator protein(Rattus norvegicus (rat))
Emory University

Curated by ChEMBL
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 194nMAssay Description:Displacement of [3H]PK11195 from TSPO receptor in Sprague-Dawley rat cerebral cortex membrane by radiometric competitive assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DR2XBBPubMed
TargetCholecystokinin receptor type A(RAT)
Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin A receptor from rat pancreatic tissueMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PG1S9KPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 12nMAssay Description:Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECAMore data for this Ligand-Target Pair
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 17nMAssay Description:Binding affinity to human recombinant GABAA alpha5beta3gamma2 expressed in Xenopous laevis oocytes by patch clamp techniqueMore data for this Ligand-Target Pair
TargetTranslocator protein(Homo sapiens (Human))
Harvard University

Curated by ChEMBL
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 1.23E+8nMAssay Description:Binding affinity of compound towards Benzodiazepine receptor in a competition assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NG4RTQPubMedDrugBank
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptorMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2SF2WS2PubMed
TargetCholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor(Homo sapiens (Human))
Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissueMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PG1S9KPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20JNPubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 3.05E+4nMAssay Description:Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunitsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RB77K2PubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Rattus norvegicus)
Howard University

Curated by ChEMBL
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)copy SMILEScopy InChI
Affinity DataIC50: 1.52E+5nMAssay Description:Inhibition of [3H]BTX-B binding to neurotoxin site 2 of sodium channel of rat cerebral cortex synaptoneurosomesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DV1NM8PubMed