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BDBM50185344 5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-(3-fluoropyridin-4-yl)pyridazine::CHEMBL203392

SMILES: Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1ccncc1F

InChI Key: InChIKey=IBIAGNJTCFFVTB-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 = 50185344   
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))
BDBM50185344
PNG
(5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...)
Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1ccncc1F
Show InChI InChI=1S/C20H10F4N4/c21-13-7-17(23)20(26-9-13)15-5-11(1-2-16(15)22)12-6-19(28-27-8-12)14-3-4-25-10-18(14)24/h1-10H
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185344
PNG
(5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...)
Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1ccncc1F
Show InChI InChI=1S/C20H10F4N4/c21-13-7-17(23)20(26-9-13)15-5-11(1-2-16(15)22)12-6-19(28-27-8-12)14-3-4-25-10-18(14)24/h1-10H
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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-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
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185344
PNG
(5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...)
Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1ccncc1F
Show InChI InChI=1S/C20H10F4N4/c21-13-7-17(23)20(26-9-13)15-5-11(1-2-16(15)22)12-6-19(28-27-8-12)14-3-4-25-10-18(14)24/h1-10H
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.20n/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