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BDBM50330791 CHEMBL1277595::N-Methyl-4-phenyl-4-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-butan-1-amine

SMILES: CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1

InChI Key: InChIKey=FJSAHHQJVCHRGE-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 = 50330791   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50330791
PNG
(CHEMBL1277595 | N-Methyl-4-phenyl-4-(4-(2-(pyrroli...)
Show SMILES CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C23H32N2O/c1-24-15-7-10-23(20-8-3-2-4-9-20)21-11-13-22(14-12-21)26-19-18-25-16-5-6-17-25/h2-4,8-9,11-14,23-24H,5-7,10,15-19H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
0.890n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50330791
PNG
(CHEMBL1277595 | N-Methyl-4-phenyl-4-(4-(2-(pyrroli...)
Show SMILES CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C23H32N2O/c1-24-15-7-10-23(20-8-3-2-4-9-20)21-11-13-22(14-12-21)26-19-18-25-16-5-6-17-25/h2-4,8-9,11-14,23-24H,5-7,10,15-19H2,1H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-R-methylhistamine from rat H3 receptor


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50330791
PNG
(CHEMBL1277595 | N-Methyl-4-phenyl-4-(4-(2-(pyrroli...)
Show SMILES CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C23H32N2O/c1-24-15-7-10-23(20-8-3-2-4-9-20)21-11-13-22(14-12-21)26-19-18-25-16-5-6-17-25/h2-4,8-9,11-14,23-24H,5-7,10,15-19H2,1H3
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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50330791
PNG
(CHEMBL1277595 | N-Methyl-4-phenyl-4-(4-(2-(pyrroli...)
Show SMILES CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C23H32N2O/c1-24-15-7-10-23(20-8-3-2-4-9-20)21-11-13-22(14-12-21)26-19-18-25-16-5-6-17-25/h2-4,8-9,11-14,23-24H,5-7,10,15-19H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 53: 7869-73 (2010)


Article DOI: 10.1021/jm100666w
BindingDB Entry DOI: 10.7270/Q2P84C4F
More data for this
Ligand-Target Pair