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BDBM50453039 CHEMBL2096749

SMILES: COc1ccc(Br)c(O)c1C(=O)NC[C@H]1CCCN1Cc1ccccc1

InChI Key: InChIKey=MBIMLBIDRSPVIF-OAHLLOKOSA-N

Data: 1 KI  2 IC50

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

Found 3 hits for monomerid = 50453039   
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 and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50453039
PNG
(CHEMBL2096749)
Show SMILES COc1ccc(Br)c(O)c1C(=O)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C20H23BrN2O3/c1-26-17-10-9-16(21)19(24)18(17)20(25)22-12-15-8-5-11-23(15)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,15,24H,5,8,11-13H2,1H3,(H,22,25)/t15-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50453039
PNG
(CHEMBL2096749)
Show SMILES COc1ccc(Br)c(O)c1C(=O)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C20H23BrN2O3/c1-26-17-10-9-16(21)19(24)18(17)20(25)22-12-15-8-5-11-23(15)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,15,24H,5,8,11-13H2,1H3,(H,22,25)/t15-/m1/s1
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Article
PubMed
n/an/a 2.68E+3n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50453039
PNG
(CHEMBL2096749)
Show SMILES COc1ccc(Br)c(O)c1C(=O)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C20H23BrN2O3/c1-26-17-10-9-16(21)19(24)18(17)20(25)22-12-15-8-5-11-23(15)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,15,24H,5,8,11-13H2,1H3,(H,22,25)/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair