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BDBM50175361 3-(((R)-2-((R)-2-(1-(benzo[d]thiazol-2-yl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)pyrrolidin-1-yl)methyl)benzonitrile::CHEMBL381685

SMILES: CC(C)(Cc1nc2ccccc2s1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)C#N

InChI Key: InChIKey=HJTHIAADVAAZSA-FGZHOGPDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50175361   
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))		BDBM50175361
PNG
(3-(((R)-2-((R)-2-(1-(benzo[d]thiazol-2-yl)-2-methy...)
Show SMILES CC(C)(Cc1nc2ccccc2s1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)C#N
Show InChI InChI=1S/C25H30N4OS/c1-25(2,14-24-28-20-9-3-4-11-23(20)31-24)27-16-22(30)21-10-6-12-29(21)17-19-8-5-7-18(13-19)15-26/h3-5,7-9,11,13,21-22,27,30H,6,10,12,14,16-17H2,1-2H3/t21-,22-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.35E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of intracellular calcium release in human TT cells containing calcium-sensing receptor by FLIPR

Bioorg Med Chem Lett 15: 5478-82 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.095
BindingDB Entry DOI: 10.7270/Q2WS8STX
More data for this
Ligand-Target Pair