BindingDB logo
myBDB logout

BDBM50318873 (1S,2S,3R,4R,5S)-6-{2-[(1R)-1-[(2R)-3-{[1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-yl]amino}-2-hydroxypropoxy]ethyl]phenyl}tricyclo[3.2.1.0^{2,4}]octane-3-carboxylic acid::CHEMBL1084156

SMILES: C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(C)c(F)c1)c1ccccc1C1C[C@@H]2C[C@H]1[C@@H]1[C@H]2[C@H]1C(O)=O

InChI Key: InChIKey=OLALWTFFZKWKBI-WDDRCOODSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50318873   
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
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50318873
PNG
((1S,2S,3R,4R,5S)-6-{2-[(1R)-1-[(2R)-3-{[1-(3-fluor...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(C)c(F)c1)c1ccccc1C1C[C@@H]2C[C@H]1[C@@H]1[C@H]2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C31H40FNO4/c1-17-9-10-19(11-26(17)32)14-31(3,4)33-15-21(34)16-37-18(2)22-7-5-6-8-23(22)24-12-20-13-25(24)28-27(20)29(28)30(35)36/h5-11,18,20-21,24-25,27-29,33-34H,12-16H2,1-4H3,(H,35,36)/t18-,20-,21-,24?,25-,27?,28-,29-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/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
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50318873
PNG
((1S,2S,3R,4R,5S)-6-{2-[(1R)-1-[(2R)-3-{[1-(3-fluor...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(C)c(F)c1)c1ccccc1C1C[C@@H]2C[C@H]1[C@@H]1[C@H]2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C31H40FNO4/c1-17-9-10-19(11-26(17)32)14-31(3,4)33-15-21(34)16-37-18(2)22-7-5-6-8-23(22)24-12-20-13-25(24)28-27(20)29(28)30(35)36/h5-11,18,20-21,24-25,27-29,33-34H,12-16H2,1-4H3,(H,35,36)/t18-,20-,21-,24?,25-,27?,28-,29-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaSR


J Med Chem 53: 4332-53 (2010)


Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF
More data for this
Ligand-Target Pair