null

SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12

InChI Key InChIKey=JOFWLTCLBGQGBO-UHFFFAOYSA-N

  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 22 hits for monomerid = 50001765   

TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc.

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi:  0.310nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VH5MD8PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc.

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi:  0.340nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VH5MD8PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc.

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi:  0.450nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VH5MD8PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc.

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi:  0.550nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VH5MD8PubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi:  0.590nMAssay 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
BindingDB Entry DOI: 10.7270/Q2W37X0JPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi:  0.680nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2639N8CPubMedDrugBank
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi:  0.800nMAssay Description:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W37X0JPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi:  1.20nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZS2V1SPubMedDrugBank
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi:  1.20nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZS2V1SPubMedDrugBank
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi:  1.40nMAssay 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
BindingDB Entry DOI: 10.7270/Q2W37X0JPubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi:  1.5nMAssay 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
BindingDB Entry DOI: 10.7270/Q2W37X0JPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi:  1.80nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZS2V1SPubMedDrugBank
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZS2V1SPubMedDrugBank
TargetPlatelet-activating factor receptor(Homo sapiens (Human))
Rhone-Poulenc Sante

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi:  699nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2JW8CC2PubMed
TargetPlatelet-activating factor receptor(Homo sapiens (Human))
Rhone-Poulenc Sante

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi:  2.49E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2JW8CC2PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2(Homo sapiens (Human))
University of Wisconsin-Milwaukee

Curated by ChEMBL
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMAssay 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
BindingDB Entry DOI: 10.7270/Q2W37X0JPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2639N8CPubMedDrugBank
TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Displacement of [125I]-gastrin from guinea pig gastric glandsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZS2VH2PubMed
TargetPlatelet-activating factor receptor(Cavia porcellus)
American Cyanamid Company

Curated by ChEMBL
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataIC50: 1.11E+4nMAssay Description:Inhibition of PAF-induced platelet aggregation in rabbit platelet rich plasmaMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2SX6C9XPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKd:  1nMAssay Description:Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FQ9XH6PubMedDrugBank
TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataKd:  4nMAssay Description:Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FQ9XH6PubMedDrugBank
TargetCholecystokinin receptor type A(RAT)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)copy SMILEScopy InChI
Affinity DataIC50: 3.90E+4nMAssay Description:Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreasMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZS2VH2PubMed