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BDBM50185342 5-[4-fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-fluoropyridin-4-yl)pyridazine::CHEMBL425934

SMILES: Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1ccncc1F

InChI Key: InChIKey=MNTGRSPARUFALM-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 = 50185342   
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))
BDBM50185342
PNG
(5-[4-fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-...)
Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1ccncc1F
Show InChI InChI=1S/C20H11F3N4/c21-16-4-3-12(8-15(16)20-17(22)2-1-6-25-20)13-9-19(27-26-10-13)14-5-7-24-11-18(14)23/h1-11H
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2


J Med Chem 49: 2600-10 (2006)


Article DOI: 10.1021/jm051144x
BindingDB Entry DOI: 10.7270/Q29Z94HV
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185342
PNG
(5-[4-fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-...)
Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1ccncc1F
Show InChI InChI=1S/C20H11F3N4/c21-16-4-3-12(8-15(16)20-17(22)2-1-6-25-20)13-9-19(27-26-10-13)14-5-7-24-11-18(14)23/h1-11H
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2


J Med Chem 49: 2600-10 (2006)


Article DOI: 10.1021/jm051144x
BindingDB Entry DOI: 10.7270/Q29Z94HV
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185342
PNG
(5-[4-fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-...)
Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1ccncc1F
Show InChI InChI=1S/C20H11F3N4/c21-16-4-3-12(8-15(16)20-17(22)2-1-6-25-20)13-9-19(27-26-10-13)14-5-7-24-11-18(14)23/h1-11H
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2


J Med Chem 49: 2600-10 (2006)


Article DOI: 10.1021/jm051144x
BindingDB Entry DOI: 10.7270/Q29Z94HV
More data for this
Ligand-Target Pair