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BDBM50279017 CHEMBL500434::cis-4-[6-(5-Methyl-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl)-pyridazin-3-yl]-phenol Bis-p-toluenesulfonate

SMILES: CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccc(O)cc1

InChI Key: InChIKey=RTCJLANCSBJYNN-OKILXGFUSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50279017   
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


(Rattus norvegicus (Rat))
BDBM50279017
PNG
(CHEMBL500434 | cis-4-[6-(5-Methyl-hexahydro-pyrrol...)
Show SMILES CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C17H20N4O/c1-20-8-13-10-21(11-14(13)9-20)17-7-6-16(18-19-17)12-2-4-15(22)5-3-12/h2-7,13-14,22H,8-11H2,1H3/t13-,14+
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane


J Med Chem 52: 4126-41 (2009)


Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50279017
PNG
(CHEMBL500434 | cis-4-[6-(5-Methyl-hexahydro-pyrrol...)
Show SMILES CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C17H20N4O/c1-20-8-13-10-21(11-14(13)9-20)17-7-6-16(18-19-17)12-2-4-15(22)5-3-12/h2-7,13-14,22H,8-11H2,1H3/t13-,14+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane


J Med Chem 52: 4126-41 (2009)


Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R
More data for this
Ligand-Target Pair