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BDBM50148323 2-(4-Methoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo[4,3-c]quinolin-3-one::CHEMBL115736

SMILES: COc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O

InChI Key: InChIKey=LJLGFSWUKOELCU-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50148323   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148323
PNG
(2-(4-Methoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazol...)
Show SMILES COc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C17H17N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h6-10,19H,2-5H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.310n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148323
PNG
(2-(4-Methoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazol...)
Show SMILES COc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C17H17N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h6-10,19H,2-5H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.610n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair