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SMILES: FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1

InChI Key: InChIKey=YXUXTGVWZCXDOV-ZJJNMPENSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50331946   
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))
BDBM50331946
PNG
(CHEMBL1289345 | N-(1-Adamantyl)-5-phenyl-7-(triflu...)
Show SMILES FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 |r,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22,15:16:19:23.21.22|
Show InChI InChI=1S/C24H27F3N4O/c25-24(26,27)20-9-19(17-4-2-1-3-5-17)29-21-18(13-28-31(20)21)22(32)30-23-10-14-6-15(11-23)8-16(7-14)12-23/h1-5,13-16,19-20,29H,6-12H2,(H,30,32)/t14?,15?,16?,19-,20+,23?/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay


J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50331946
PNG
(CHEMBL1289345 | N-(1-Adamantyl)-5-phenyl-7-(triflu...)
Show SMILES FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 |r,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22,15:16:19:23.21.22|
Show InChI InChI=1S/C24H27F3N4O/c25-24(26,27)20-9-19(17-4-2-1-3-5-17)29-21-18(13-28-31(20)21)22(32)30-23-10-14-6-15(11-23)8-16(7-14)12-23/h1-5,13-16,19-20,29H,6-12H2,(H,30,32)/t14?,15?,16?,19-,20+,23?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
BindingDB Entry DOI: 10.7270/Q2CJ8DRD
More data for this
Ligand-Target Pair