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BDBM27998 2-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide::trisubstituted pyrimidine analogue, 6s

SMILES: COc1cc(cc(OC)c1OC)-c1nc(N[C@H](CO)Cc2ccccc2)ncc1C(=O)NCCOc1ccccc1

InChI Key: InChIKey=XYWFFBKDRAMPBZ-QHCPKHFHSA-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 = 27998   
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))
BDBM27998
PNG
(2-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-(2...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(N[C@H](CO)Cc2ccccc2)ncc1C(=O)NCCOc1ccccc1 |r|
Show InChI InChI=1S/C31H34N4O6/c1-38-26-17-22(18-27(39-2)29(26)40-3)28-25(30(37)32-14-15-41-24-12-8-5-9-13-24)19-33-31(35-28)34-23(20-36)16-21-10-6-4-7-11-21/h4-13,17-19,23,36H,14-16,20H2,1-3H3,(H,32,37)(H,33,34,35)/t23-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...


J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair