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BDBM50112223 5-(4-Cyclopropyl-thiazol-2-yl)-3-(4-methoxy-phenyl)-1-methyl-1H-[2,4']bipyridinyl-6-one::CHEMBL54422

SMILES: COc1ccc(cc1)-c1cc(-c2nc(cs2)C2CC2)c(=O)n(C)c1-c1ccncc1

InChI Key: InChIKey=CVNPFPRAINQAHI-UHFFFAOYSA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50112223   
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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112223
PNG
(5-(4-Cyclopropyl-thiazol-2-yl)-3-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(cs2)C2CC2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
12n/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-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112223
PNG
(5-(4-Cyclopropyl-thiazol-2-yl)-3-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(cs2)C2CC2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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PC sid
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PubMed
24n/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 A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112223
PNG
(5-(4-Cyclopropyl-thiazol-2-yl)-3-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(cs2)C2CC2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
31n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha1-beta3-gamma2) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112223
PNG
(5-(4-Cyclopropyl-thiazol-2-yl)-3-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(cs2)C2CC2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha5-beta3-gamma2) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair