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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'GABA receptor alpha-3/beta-3/gamma-2 subunit' and Ligand = 'BDBM50007664'   
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 receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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275n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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PubMed
471n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL




Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
PDB

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PC sid
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Article
PubMed
471n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha3-beta3-gamma2 expressed in L(tk-) cells


J Med Chem 47: 5829-32 (2004)


Article DOI: 10.1021/jm040863t
BindingDB Entry DOI: 10.7270/Q2CZ36MC
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
740n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair