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SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21

InChI Key InChIKey=UKHFPVCOXBJPIN-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 32 hits for monomerid = 50243981   

TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
University Clinic for Psychiatry

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  0.5nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HD7T6PPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
University Clinic for Psychiatry

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  0.780nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53JCFPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
University Clinic for Psychiatry

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2639N8CPubMed
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  1.40nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2125R4DPubMed
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  1.5nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2125R4DPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
University Clinic for Psychiatry

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
In DepthDetails
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
University Clinic for Psychiatry

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  2.20nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZS2V1SPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
Universität Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  2.90nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53JCFPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
Universität Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  4.10nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53JCFPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
Universität Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  6.5nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZS2V1SPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
Universität Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
In DepthDetails
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
Universität Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  9.20nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZS2V1SPubMed
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  44nMMore data for this Ligand-Target Pair
In DepthDetails
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  60nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2125R4DPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
Universität Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  72nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  76.4nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZS2V1SPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-4(Homo sapiens (Human))
CoCensys, Inc.

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  310nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JD4VB2PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-4(Rattus norvegicus (Rat))
National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  436nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28S4NF7PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-4(Homo sapiens (Human))
CoCensys, Inc.

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  640nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HD7T6PPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-4(Homo sapiens (Human))
CoCensys, Inc.

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetGamma-aminobutyric acid receptor subunit alpha-6(RAT)
National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  2.02E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28S4NF7PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  2.05E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2639N8CPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  3.26E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JD4VB2PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-6(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKi:  4.40E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetCholecystokinin receptor type A(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Tested for its activity to inhibit the binding of [125I]-gastrin to gastric glands (gastrin) in guinea pigMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28S4PTK
TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Tested for its activity to inhibit the binding of [125I]-gastrin to gastric glands (gastrin) in guinea pigMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28S4PTK
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
University Clinic for Psychiatry

Curated by PDSP Ki Database
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)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/Q2FQ9XH6PubMed
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataKd:  58nMAssay 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/Q2FQ9XH6PubMed
TargetCholinesterase(Equus caballus (Horse))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M61N1ZPubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataIC50: 6.30E+4nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M61N1ZPubMed
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))TBA
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataIC50: 800nMMore data for this Ligand-Target Pair
In DepthDetails
TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50243981(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+5nMAssay Description:Tested for its activity to inhibit the binding of [125I]-gastrin to gastric glands (gastrin) in guinea pigMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28S4PTK