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BDBM50142575 11-(1-Methyl-1H-pyrazol-3-yl)-9-(4-methyl-thiazol-2-yl)-6,7-dihydro-5H-2,7a-diaza-dibenzo[a,c]cyclohepten-8-one::CHEMBL48782

SMILES: Cc1csc(n1)-c1cc(-c2ccn(C)n2)c2-c3cnccc3CCCn2c1=O

InChI Key: InChIKey=PFAUXAQOEJBLRX-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 = 50142575   
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))
BDBM50142575
PNG
(11-(1-Methyl-1H-pyrazol-3-yl)-9-(4-methyl-thiazol-...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccn(C)n2)c2-c3cnccc3CCCn2c1=O
Show InChI InChI=1S/C21H19N5OS/c1-13-12-28-20(23-13)16-10-15(18-6-9-25(2)24-18)19-17-11-22-7-5-14(17)4-3-8-26(19)21(16)27/h5-7,9-12H,3-4,8H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



The Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 expressed in L(tk) cells by [3H]-Ro-15-1788 displacement...


Bioorg Med Chem Lett 14: 1679-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.057
BindingDB Entry DOI: 10.7270/Q27D2TK7
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50142575
PNG
(11-(1-Methyl-1H-pyrazol-3-yl)-9-(4-methyl-thiazol-...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccn(C)n2)c2-c3cnccc3CCCn2c1=O
Show InChI InChI=1S/C21H19N5OS/c1-13-12-28-20(23-13)16-10-15(18-6-9-25(2)24-18)19-17-11-22-7-5-14(17)4-3-8-26(19)21(16)27/h5-7,9-12H,3-4,8H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



The Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 expressed in L(tk) cells by [3H]-Ro-15-1788 displacement...


Bioorg Med Chem Lett 14: 1679-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.057
BindingDB Entry DOI: 10.7270/Q27D2TK7
More data for this
Ligand-Target Pair