BDBM25878 5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H-1,4-benzodiazepin-2-one::CHEMBL13280::Flunitrazepam::[3H]Rohypnol::[3H]flunitrazepam

SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O

InChI Key InChIKey=PPTYJKAXVCCBDU-UHFFFAOYSA-N

Data  36 KI  5 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 25878   

TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  1.10nMAssay Description:Binding affinity evaluated by ability to displace [3H]-Ro-15-1788 from recombinant human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 ex...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
University Of Cagliari

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  1.37nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
University Of Cagliari

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  1.52nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  2.10nMAssay Description:Binding affinity measured using LtK- cell membranes expressing Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H]flunitrazepam from human recombinant alpha5beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand b...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  2.10nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  2.20nMAssay Description:Binding affinity measured using LtK- cell membranes expressing GABA alpha1-beta3-gamma2 receptorMore data for this Ligand-Target Pair
Target InfoGoogleScholar
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  2.20nMAssay Description:Displacement of [3H]flunitrazepam from human recombinant alpha1beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand b...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  2.20nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2More data for this Ligand-Target Pair
Target InfoGoogleScholar
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  2.5nMAssay Description:Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  2.5nMAssay Description:Binding affinity measured using LtK- cell membranes expressing GABA alpha2-beta3-gamma2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  2.5nMAssay Description:Displacement of [3H]flunitrazepam from human recombinant alpha2beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand b...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  3.90nMAssay Description:Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2 expr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  4.5nMAssay Description:Displacement of [3H]flunitrazepam from human recombinant alpha3beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand b...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  4.5nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  4.5nMAssay Description:Binding affinity measured using LtK- cell membranes expressing GABA alpha3-beta3-gamma2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  5.20nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  5.20nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  5.5nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  5.90nMAssay Description:Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-3-beta-3-gamma-2 expr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  6.10nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  7.5nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  8.80nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  10nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  11.5nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
University Of Cagliari

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  14.9nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  15.7nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
University Of Cagliari

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  29nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
University Of Cagliari

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  40.4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi: >2.00E+3nMAssay Description:Binding affinity measured using LtK- cell membranes expressing Gamma-aminobutyric-acid A receptor alpha6-beta3-gamma2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2(Homo sapiens (Human))
University Of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi: >2.00E+3nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
University Of Cagliari

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  3.14E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
University Of Cagliari

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi:  3.45E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

TargetHistamine H1 receptor(RAT)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholecystokinin receptor type A(Cavia porcellus)
TBA

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
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 ArticlePubMed
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
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 ArticlePubMed
TargetCholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
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 ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKd:  3nMAssay Description:Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataKd:  4.5nMAssay Description:Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholecystokinin receptor type A(RAT)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
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 ArticlePubMed
TargetTranslocator protein(Homo sapiens (Human))
Harvard University

Curated by ChEMBL
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Affinity DataIC50:  2.63E+8nMAssay Description:Binding affinity of compound towards Benzodiazepine receptor in a competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank