BindingDB logo
myBDB logout

BDBM50179931 2'-Fluoro-5'-[7-(1-hydroxy-1-methyl-ethyl)-imidazo[1,2-a]pyrimidin-3-yl]-biphenyl-2-carbonitrile::CHEMBL382173

SMILES: CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccccc1C#N

InChI Key: InChIKey=UPMDLTAPSSWEPU-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 = 50179931   
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))
BDBM50179931
PNG
(2'-Fluoro-5'-[7-(1-hydroxy-1-methyl-ethyl)-imidazo...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccccc1C#N
Show InChI InChI=1S/C22H17FN4O/c1-22(2,28)20-9-10-27-19(13-25-21(27)26-20)14-7-8-18(23)17(11-14)16-6-4-3-5-15(16)12-24/h3-11,13,28H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.470n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human GABA-Aalpha3 receptor plus beta3gamma2 expressed in mouse L(tk-) cells


Bioorg Med Chem Lett 16: 1518-22 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.037
BindingDB Entry DOI: 10.7270/Q2HM582K
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179931
PNG
(2'-Fluoro-5'-[7-(1-hydroxy-1-methyl-ethyl)-imidazo...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccccc1C#N
Show InChI InChI=1S/C22H17FN4O/c1-22(2,28)20-9-10-27-19(13-25-21(27)26-20)14-7-8-18(23)17(11-14)16-6-4-3-5-15(16)12-24/h3-11,13,28H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.710n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human GABA-Aalpha1 receptor plus beta3gamma2 expressed in mouse L(tk-) cells


Bioorg Med Chem Lett 16: 1518-22 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.037
BindingDB Entry DOI: 10.7270/Q2HM582K
More data for this
Ligand-Target Pair