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BDBM50179918 2-(3-(4-fluoro-3-(5-fluoropyridin-2-yl)phenyl)imidazo[1,2-a]pyrimidin-7-yl)propan-2-ol::CHEMBL204004

SMILES: CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccc(F)cn1

InChI Key: InChIKey=IHDXFSAXAJRBOG-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50179918   
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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179918
PNG
(2-(3-(4-fluoro-3-(5-fluoropyridin-2-yl)phenyl)imid...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccc(F)cn1
Show InChI InChI=1S/C20H16F2N4O/c1-20(2,27)18-7-8-26-17(11-24-19(26)25-18)12-3-5-15(22)14(9-12)16-6-4-13(21)10-23-16/h3-11,27H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.420n/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 recombinant human GABA-Aalpha5 receptor plus beta3gamma2 expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 1477-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.044
BindingDB Entry DOI: 10.7270/Q2NC60SW
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179918
PNG
(2-(3-(4-fluoro-3-(5-fluoropyridin-2-yl)phenyl)imid...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccc(F)cn1
Show InChI InChI=1S/C20H16F2N4O/c1-20(2,27)18-7-8-26-17(11-24-19(26)25-18)12-3-5-15(22)14(9-12)16-6-4-13(21)10-23-16/h3-11,27H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60n/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 recombinant human GABA-Aalpha1 receptor plus beta3gamma2 expressed in mouse L(tk-) cells


Bioorg Med Chem Lett 16: 1477-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.044
BindingDB Entry DOI: 10.7270/Q2NC60SW
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179918
PNG
(2-(3-(4-fluoro-3-(5-fluoropyridin-2-yl)phenyl)imid...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccc(F)cn1
Show InChI InChI=1S/C20H16F2N4O/c1-20(2,27)18-7-8-26-17(11-24-19(26)25-18)12-3-5-15(22)14(9-12)16-6-4-13(21)10-23-16/h3-11,27H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.94n/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 recombinant human GABA-Aalpha3 receptor plus beta3gamma2 expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 1477-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.044
BindingDB Entry DOI: 10.7270/Q2NC60SW
More data for this
Ligand-Target Pair