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BDBM50156196 (1S,2R)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-propan-1-ol::CHEMBL364723

SMILES: COc1cc([C@H](O)[C@@H](C)N)c(OC)cc1Br

InChI Key: InChIKey=YLLHAHHNKOUOSR-KSBSHMNSSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50156196   
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))
BDBM50156196
PNG
((1S,2R)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@H](O)[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11-/m1/s1
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
9.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line


J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50156196
PNG
((1S,2R)-2-Amino-1-(4-bromo-2,5-dimethoxy-phenyl)-p...)
Show SMILES COc1cc([C@H](O)[C@@H](C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO3/c1-6(13)11(14)7-4-10(16-3)8(12)5-9(7)15-2/h4-6,11,14H,13H2,1-3H3/t6-,11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
9.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT2A serotonin receptor


J Med Chem 47: 6034-41 (2004)


Article DOI: 10.1021/jm040082s
BindingDB Entry DOI: 10.7270/Q2R78DQ8
More data for this
Ligand-Target Pair