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BDBM50437730 CHEMBL2409384

SMILES: Cc1ccc(cn1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O

InChI Key: InChIKey=UFQVFENMKGBUDA-NHCUHLMSSA-N

Data: 2 KI

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

Found 2 hits for monomerid = 50437730   
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
Vesicular acetylcholine transporter


(Homo sapiens (Human))
BDBM50437730
PNG
(CHEMBL2409384)
Show SMILES Cc1ccc(cn1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r|
Show InChI InChI=1S/C22H26N2O2/c1-15-6-7-19(14-23-15)22(26)16-8-10-24(11-9-16)20-12-17-4-2-3-5-18(17)13-21(20)25/h2-7,14,16,20-21,25H,8-13H2,1H3/t20-,21-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
28n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from human VAChT expressed in rat PC12 cell membrane after 20 hrs


J Med Chem 56: 6216-33 (2013)


Article DOI: 10.1021/jm400664x
BindingDB Entry DOI: 10.7270/Q2930VMV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50437730
PNG
(CHEMBL2409384)
Show SMILES Cc1ccc(cn1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r|
Show InChI InChI=1S/C22H26N2O2/c1-15-6-7-19(14-23-15)22(26)16-8-10-24(11-9-16)20-12-17-4-2-3-5-18(17)13-21(20)25/h2-7,14,16,20-21,25H,8-13H2,1H3/t20-,21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.12E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)- [3H]pentazocine from sigma 1 receptor expressed in guinea pig brain membrane homogenates by scintillation counting analysis


J Med Chem 56: 6216-33 (2013)


Article DOI: 10.1021/jm400664x
BindingDB Entry DOI: 10.7270/Q2930VMV
More data for this
Ligand-Target Pair