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BDBM50185331 5-[4-fluoro-3-(3,5-difluoropyridin-2-yl)-phenyl]-3-(3,5-difluoropyridin-2-yl)pyridazine::CHEMBL202789

SMILES: Fc1cnc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncc(F)cc1F

InChI Key: InChIKey=PYXJKYJAFMLYMS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50185331   
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))
BDBM50185331
PNG
(5-[4-fluoro-3-(3,5-difluoropyridin-2-yl)-phenyl]-3...)
Show SMILES Fc1cnc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncc(F)cc1F
Show InChI InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185331
PNG
(5-[4-fluoro-3-(3,5-difluoropyridin-2-yl)-phenyl]-3...)
Show SMILES Fc1cnc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncc(F)cc1F
Show InChI InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.5n/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-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-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185331
PNG
(5-[4-fluoro-3-(3,5-difluoropyridin-2-yl)-phenyl]-3...)
Show SMILES Fc1cnc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncc(F)cc1F
Show InChI InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H
PDB

KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10.9n/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-Aalpha2 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))
BDBM50185331
PNG
(5-[4-fluoro-3-(3,5-difluoropyridin-2-yl)-phenyl]-3...)
Show SMILES Fc1cnc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncc(F)cc1F
Show InChI InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H
PDB

KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.1n/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