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SMILES: CC1(C)C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1

InChI Key: InChIKey=HHQOHMHZMHXOAV-ZNWBTVJYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50331964   
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))
BDBM50331964
PNG
(CHEMBL1290328 | N-(1-Adamantyl)-7,7-dimethyl-5-phe...)
Show SMILES CC1(C)C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 |r,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20,13:14:17:21.19.20|
Show InChI InChI=1S/C25H32N4O/c1-24(2)14-21(19-6-4-3-5-7-19)27-22-20(15-26-29(22)24)23(30)28-25-11-16-8-17(12-25)10-18(9-16)13-25/h3-7,15-18,21,27H,8-14H2,1-2H3,(H,28,30)/t16?,17?,18?,21-,25?/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 10n/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))
BDBM50331964
PNG
(CHEMBL1290328 | N-(1-Adamantyl)-7,7-dimethyl-5-phe...)
Show SMILES CC1(C)C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 |r,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20,13:14:17:21.19.20|
Show InChI InChI=1S/C25H32N4O/c1-24(2)14-21(19-6-4-3-5-7-19)27-22-20(15-26-29(22)24)23(30)28-25-11-16-8-17(12-25)10-18(9-16)13-25/h3-7,15-18,21,27H,8-14H2,1-2H3,(H,28,30)/t16?,17?,18?,21-,25?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 10n/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