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BDBM50299670 (R)-3-(2-chlorophenyl)-N-(1-(3-methoxyphenyl)ethyl)propan-1-amine::CHEMBL292376::[3-(2-Chloro-phenyl)-propyl]-[(R)-1-(3-methoxy-phenyl)-ethyl]-amine

SMILES: COc1cccc(c1)[C@@H](C)NCCCc1ccccc1Cl

InChI Key: InChIKey=ZVQUCWXZCKWZBP-CQSZACIVSA-N

Data: 2 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50299670   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50299670
PNG
((R)-3-(2-chlorophenyl)-N-(1-(3-methoxyphenyl)ethyl...)
Show SMILES COc1cccc(c1)[C@@H](C)NCCCc1ccccc1Cl
Show InChI InChI=1S/C18H22ClNO/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3/t14-/m1/s1
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PC sid
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PDB
Article
PubMed
n/an/an/an/a 80n/an/an/an/a



Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 2451-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.078
BindingDB Entry DOI: 10.7270/Q2930VJZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50299670
PNG
((R)-3-(2-chlorophenyl)-N-(1-(3-methoxyphenyl)ethyl...)
Show SMILES COc1cccc(c1)[C@@H](C)NCCCc1ccccc1Cl
Show InChI InChI=1S/C18H22ClNO/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3/t14-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/an/a 194n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay


J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)