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BDBM50452266 CHEMBL2115071

SMILES: COc1ccc(cc1OC)[C@@H](O)CN1CCN(CC1)c1cccccc1=O

InChI Key: InChIKey=SGEKLKJQLHJVDK-TWYLJJHKNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50452266   
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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50452266
PNG
(CHEMBL2115071)
Show SMILES COc1ccc(cc1OC)[C@@H](O)CN1CCN(CC1)c1cccccc1=O
Show InChI InChI=1/C21H26N2O4/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24/h3-9,14,19,25H,10-13,15H2,1-2H3/t19-/s2
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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.44E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]WB-4101 from rat brain alpha-1 adrenergic receptor


J Med Chem 29: 186-93 (1986)


Article DOI: 10.1021/jm00152a004
BindingDB Entry DOI: 10.7270/Q2N29VZH
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50452266
PNG
(CHEMBL2115071)
Show SMILES COc1ccc(cc1OC)[C@@H](O)CN1CCN(CC1)c1cccccc1=O
Show InChI InChI=1/C21H26N2O4/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24/h3-9,14,19,25H,10-13,15H2,1-2H3/t19-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.66E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2


J Med Chem 29: 186-93 (1986)


Article DOI: 10.1021/jm00152a004
BindingDB Entry DOI: 10.7270/Q2N29VZH
More data for this
Ligand-Target Pair