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BDBM50179919 2-(3-(4-fluoro-3-(pyridin-4-yl)phenyl)imidazo[1,2-a]pyrimidin-7-yl)propan-2-ol::CHEMBL204003

SMILES: CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccncc1

InChI Key: InChIKey=BKIXSCDBYYIHQI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50179919   
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))
BDBM50179919
PNG
(2-(3-(4-fluoro-3-(pyridin-4-yl)phenyl)imidazo[1,2-...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccncc1
Show InChI InChI=1S/C20H17FN4O/c1-20(2,26)18-7-10-25-17(12-23-19(25)24-18)14-3-4-16(21)15(11-14)13-5-8-22-9-6-13/h3-12,26H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.310n/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))
BDBM50179919
PNG
(2-(3-(4-fluoro-3-(pyridin-4-yl)phenyl)imidazo[1,2-...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccncc1
Show InChI InChI=1S/C20H17FN4O/c1-20(2,26)18-7-10-25-17(12-23-19(25)24-18)14-3-4-16(21)15(11-14)13-5-8-22-9-6-13/h3-12,26H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.680n/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))
BDBM50179919
PNG
(2-(3-(4-fluoro-3-(pyridin-4-yl)phenyl)imidazo[1,2-...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccncc1
Show InChI InChI=1S/C20H17FN4O/c1-20(2,26)18-7-10-25-17(12-23-19(25)24-18)14-3-4-16(21)15(11-14)13-5-8-22-9-6-13/h3-12,26H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.25n/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