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BDBM50346039 6-{3-[(R)-2-Hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxy]-phenyl}-tricyclo[3.2.1.0*2,4*]octane-3-carboxylic acid::CHEMBL1783763

SMILES: CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cccc(c1)C1CC2CC1C1C2C1C(O)=O

InChI Key: InChIKey=SQPUPAACQRNHPK-JUFKISOUSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50346039   
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
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50346039
PNG
(6-{3-[(R)-2-Hydroxy-3-(2-indan-2-yl-1,1-dimethyl-e...)
Show SMILES CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cccc(c1)C1CC2CC1C1C2C1C(O)=O |r|
Show InChI InChI=1S/C31H39NO4/c1-31(2,15-18-10-19-6-3-4-7-20(19)11-18)32-16-23(33)17-36-24-9-5-8-21(12-24)25-13-22-14-26(25)28-27(22)29(28)30(34)35/h3-9,12,18,22-23,25-29,32-33H,10-11,13-17H2,1-2H3,(H,34,35)/t22?,23-,25?,26?,27?,28?,29?/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair