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BDBM50116299 CHEMBL3612360

SMILES: [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1

InChI Key: InChIKey=GTIPANYRNCQASG-VADNYZMANA-N

Data: 3 KI  1 IC50

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 = 50116299   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50116299
PNG
(CHEMBL3612360)
Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r|
Show InChI InChI=1/C30H45N3O2.BrH/c1-32-19-11-13-29(32)26-12-10-21-33(24-26)20-9-7-5-3-2-4-6-8-18-31-23-28-17-15-25-14-16-27(34)22-30(25)35-28;/h10,12,14,16,21-22,24,28-29,31H,2-9,11,13,15,17-20,23H2,1H3;1H/t28?,29-;/s2
UniProtKB/SwissProt

antibodypedia
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PC sid
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PubMed
3.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 30 mins


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50116299
PNG
(CHEMBL3612360)
Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r|
Show InChI InChI=1/C30H45N3O2.BrH/c1-32-19-11-13-29(32)26-12-10-21-33(24-26)20-9-7-5-3-2-4-6-8-18-31-23-28-17-15-25-14-16-27(34)22-30(25)35-28;/h10,12,14,16,21-22,24,28-29,31H,2-9,11,13,15,17-20,23H2,1H3;1H/t28?,29-;/s2
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat striatal membranes after 30 mins


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50116299
PNG
(CHEMBL3612360)
Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r|
Show InChI InChI=1/C30H45N3O2.BrH/c1-32-19-11-13-29(32)26-12-10-21-33(24-26)20-9-7-5-3-2-4-6-8-18-31-23-28-17-15-25-14-16-27(34)22-30(25)35-28;/h10,12,14,16,21-22,24,28-29,31H,2-9,11,13,15,17-20,23H2,1H3;1H/t28?,29-;/s2
PDB

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KEGG

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B.MOAD
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PC sid
UniChem

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PubMed
4.30E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat hippocampus membrane homogenates by gamma counting


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50116299
PNG
(CHEMBL3612360)
Show SMILES [Br-].CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCNCC2CCc3ccc(O)cc3O2)c1 |r|
Show InChI InChI=1/C30H45N3O2.BrH/c1-32-19-11-13-29(32)26-12-10-21-33(24-26)20-9-7-5-3-2-4-6-8-18-31-23-28-17-15-25-14-16-27(34)22-30(25)35-28;/h10,12,14,16,21-22,24,28-29,31H,2-9,11,13,15,17-20,23H2,1H3;1H/t28?,29-;/s2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 100n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of acetylcholine-induced inward current at holding po...


Eur J Med Chem 101: 367-83 (2015)


BindingDB Entry DOI: 10.7270/Q25M67H8
More data for this
Ligand-Target Pair