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3 similar compounds to monomer 50088453

Wt: 298.1
BDBM50187455
Wt: 284.1
BDBM50224458
Wt: 284.1
BDBM50224459

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50187455,50224458,50224459   
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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50187455
PNG
(1-(6-Bromo-5-vinylpyridin-3-yl)-[1,4]diazepane | 1...)
Show SMILES Brc1ncc(cc1OC=C)N1CCCNCC1
Show InChI InChI=1S/C12H16BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h2,8-9,14H,1,3-7H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.646n/an/an/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 52: 2311-6 (2009)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224459
PNG
((1S,5S)-3-(6-bromo-5-methoxypyridin-3-yl)-3,6-diaz...)
Show SMILES COc1cc(cnc1Br)N1C[C@@H]2CN[C@@H]2C1
Show InChI InChI=1S/C11H14BrN3O/c1-16-10-2-8(4-14-11(10)12)15-5-7-3-13-9(7)6-15/h2,4,7,9,13H,3,5-6H2,1H3/t7-,9+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50224458
PNG
((1R,5R)-3-(6-bromo-5-methoxypyridin-3-yl)-3,6-diaz...)
Show SMILES COc1cc(cnc1Br)N1C[C@H]2CN[C@H]2C1
Show InChI InChI=1S/C11H14BrN3O/c1-16-10-2-8(4-14-11(10)12)15-5-7-3-13-9(7)6-15/h2,4,7,9,13H,3,5-6H2,1H3/t7-,9+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



Neuroscience Research

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay


J Med Chem 50: 5493-508 (2007)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (human))
BDBM50187455
PNG
(1-(6-Bromo-5-vinylpyridin-3-yl)-[1,4]diazepane | 1...)
Show SMILES Brc1ncc(cc1OC=C)N1CCCNCC1
Show InChI InChI=1S/C12H16BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h2,8-9,14H,1,3-7H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 110n/an/an/an/a



University of Turin

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay


J Med Chem 52: 2311-6 (2009)

More data for this
Ligand-Target Pair