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BDBM50339736 (5R)-N-[1-(4-Acetylphenyl)-1-ethylpropyl]-2,7,7-trimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]-pyrimidine-3-carboxamide::CHEMBL1689062

SMILES: CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(cc1)C(C)=O

InChI Key: InChIKey=RSIFWSLPLFKXMS-XMMPIXPASA-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 = 50339736   
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))
BDBM50339736
PNG
((5R)-N-[1-(4-Acetylphenyl)-1-ethylpropyl]-2,7,7-tr...)
Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(cc1)C(C)=O |r|
Show InChI InChI=1S/C29H36N4O2/c1-7-29(8-2,23-16-14-21(15-17-23)20(4)34)31-27(35)25-19(3)32-33-26(25)30-24(18-28(33,5)6)22-12-10-9-11-13-22/h9-17,24,30H,7-8,18H2,1-6H3,(H,31,35)/t24-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting


Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair