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BDBM50339326 CHEMBL1689812::N-{1-Butyl-1-[4-(trifluoromethyl)phenyl]pentyl}-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

SMILES: CCCCC(CCCC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=CRQGMSQDGIMFTR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50339326   
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))		BDBM50339326
PNG
(CHEMBL1689812 | N-{1-Butyl-1-[4-(trifluoromethyl)p...)
Show SMILES CCCCC(CCCC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H39F3N4O/c1-5-7-18-30(19-8-6-2,23-14-16-24(17-15-23)31(32,33)34)37-28(39)25-21-35-38-27(25)36-26(20-29(38,3)4)22-12-10-9-11-13-22/h9-17,21,26,36H,5-8,18-20H2,1-4H3,(H,37,39)
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n/an/a 23n/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