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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GABA-A receptor; alpha-2/beta-3/gamma-2' and Ligand = 'BDBM25879'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25879
PNG
(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3
PDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha5-beta3-gamma2 subunits expressed in L(tk-)cells


Bioorg Med Chem Lett 14: 1465-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.018
BindingDB Entry DOI: 10.7270/Q2W958M2
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25879
PNG
(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro binding affinity for human GABA-A receptor alpha2-beta3-gamma2 subunits expressed in L(tk-) cell membranes


J Med Chem 46: 5567-70 (2003)


Article DOI: 10.1021/jm034164c
BindingDB Entry DOI: 10.7270/Q2R78DNC
More data for this
Ligand-Target Pair