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SMILES COCc1c(ncc2[nH]c3ccc(OCc4ccccc4)cc3c12)C(=O)OC(C)C

InChI Key InChIKey=RLFKILXOLJVUNF-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 12 hits for monomerid = 50244033   

LigandPNGBDBM50244033(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)copy SMILEScopy InChI
In DepthDetails
LigandPNGBDBM50244033(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)copy SMILEScopy InChI
In DepthDetails
LigandPNGBDBM50244033(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)copy SMILEScopy InChI
In DepthDetails
LigandPNGBDBM50244033(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)copy SMILEScopy InChI
Affinity DataKi:  4.40nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZS2V1SPubMed
LigandPNGBDBM50244033(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)copy SMILEScopy InChI
In DepthDetails
LigandPNGBDBM50244033(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)copy SMILEScopy InChI
Affinity DataKi:  7.10nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZS2V1SPubMed
LigandPNGBDBM50244033(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)copy SMILEScopy InChI
Affinity DataKi:  8.40nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZS2V1SPubMed
TargetGamma-aminobutyric acid receptor subunit alpha-4(Homo sapiens (Human))
University Clinic for Psychiatry

Curated by PDSP Ki Database
LigandPNGBDBM50244033(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)copy SMILEScopy InChI
Affinity DataKi:  1.06E+3nMMore 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))
University Clinic for Psychiatry

Curated by PDSP Ki Database
LigandPNGBDBM50244033(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)copy SMILEScopy InChI
Affinity DataKi:  1.20E+3nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50244033(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)copy SMILEScopy InChI
Affinity DataKi:  6.40E+3nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50244033(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)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
LigandPNGBDBM50244033(Abecarnil | CHEMBL454095 | isopropyl 6-(benzyloxy)...)copy SMILEScopy InChI
Affinity DataKd:  8.40nMAssay 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