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BDBM365879 2-[4-({[(3- hydroxyphenyl)methyl]amino} methyl)-3,5-dimethoxyphenoxy methyl]-6- phenylbenzonitrile::US9872852, Example 131

SMILES: COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNCc1cccc(O)c1

InChI Key: InChIKey=BOJXYPQIHZTTTA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 365879   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365879
PNG
(2-[4-({[(3- hydroxyphenyl)methyl]amino} methyl)-3,...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNCc1cccc(O)c1
Show InChI InChI=1S/C30H28N2O4/c1-34-29-15-25(16-30(35-2)28(29)19-32-18-21-8-6-12-24(33)14-21)36-20-23-11-7-13-26(27(23)17-31)22-9-4-3-5-10-22/h3-16,32-33H,18-20H2,1-2H3
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 555n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...


US Patent US9872852 (2018)


BindingDB Entry DOI: 10.7270/Q2RN3B42
More data for this
Ligand-Target Pair