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BDBM50175358 3-(((R)-2-((R)-2-(1-(benzo[b]thiophen-3-yl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)pyrrolidin-1-yl)methyl)benzonitrile::CHEMBL200041

SMILES: CC(C)(Cc1csc2ccccc12)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)C#N

InChI Key: InChIKey=BNJSVXAJEDIILM-DNQXCXABSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50175358   
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))		BDBM50175358
PNG
(3-(((R)-2-((R)-2-(1-(benzo[b]thiophen-3-yl)-2-meth...)
Show SMILES CC(C)(Cc1csc2ccccc12)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H31N3OS/c1-26(2,14-21-18-31-25-11-4-3-9-22(21)25)28-16-24(30)23-10-6-12-29(23)17-20-8-5-7-19(13-20)15-27/h3-5,7-9,11,13,18,23-24,28,30H,6,10,12,14,16-17H2,1-2H3/t23-,24-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+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