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BDBM50002169 3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-1H-indol-6-ol::CHEMBL130502

SMILES: Oc1ccc2c(CCCCN3CCC(=CC3)c3ccccc3)c[nH]c2c1

InChI Key: InChIKey=KELIDAHPKTUDBD-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50002169   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002169
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]...)
Show SMILES Oc1ccc2c(CCCCN3CCC(=CC3)c3ccccc3)c[nH]c2c1
Show InChI InChI=1S/C23H26N2O/c26-21-9-10-22-20(17-24-23(22)16-21)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes [3H]ADTN, a dopamine agonist


J Med Chem 35: 4020-6 (1992)


Article DOI: 10.1021/jm00100a006
BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50002169
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]...)
Show SMILES Oc1ccc2c(CCCCN3CCC(=CC3)c3ccccc3)c[nH]c2c1
Show InChI InChI=1S/C23H26N2O/c26-21-9-10-22-20(17-24-23(22)16-21)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes [3H]ADTN, a dopamine agonist


J Med Chem 35: 4020-6 (1992)


Article DOI: 10.1021/jm00100a006
BindingDB Entry DOI: 10.7270/Q2K0736G
More data for this
Ligand-Target Pair