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BDBM50404050 CHEMBL298108

SMILES: COc1ccccc1N1CCN(CCCOc2ccc3c(OC)cc(=O)oc3c2)CC1

InChI Key: InChIKey=XTQWEIZIKPNRTR-UHFFFAOYSA-N

Data: 2 KI  1 Kd

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 3 hits for monomerid = 50404050   
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))
BDBM50404050
PNG
(CHEMBL298108)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(OC)cc(=O)oc3c2)CC1
Show InChI InChI=1S/C24H28N2O5/c1-28-21-7-4-3-6-20(21)26-13-11-25(12-14-26)10-5-15-30-18-8-9-19-22(29-2)17-24(27)31-23(19)16-18/h3-4,6-9,16-17H,5,10-15H2,1-2H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
17.8n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50404050
PNG
(CHEMBL298108)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(OC)cc(=O)oc3c2)CC1
Show InChI InChI=1S/C24H28N2O5/c1-28-21-7-4-3-6-20(21)26-13-11-25(12-14-26)10-5-15-30-18-8-9-19-22(29-2)17-24(27)31-23(19)16-18/h3-4,6-9,16-17H,5,10-15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.09E+3n/an/an/an/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50404050
PNG
(CHEMBL298108)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc3c(OC)cc(=O)oc3c2)CC1
Show InChI InChI=1S/C24H28N2O5/c1-28-21-7-4-3-6-20(21)26-13-11-25(12-14-26)10-5-15-30-18-8-9-19-22(29-2)17-24(27)31-23(19)16-18/h3-4,6-9,16-17H,5,10-15H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 7.94n/an/an/an/an/a



University of Santiago

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta


Citation and Details
More data for this
Ligand-Target Pair