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BDBM365878 2-(3,5-dimethoxy-4-{[(pyridin-4- ylmethyl)amino]methyl} phenoxymethyl)- 6-phenylbenzonitrile::US9872852, Example 130

SMILES: COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNCc1ccncc1

InChI Key: InChIKey=IMQYUPOKVQUSJL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 365878   
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))
BDBM365878
PNG
(2-(3,5-dimethoxy-4-{[(pyridin-4- ylmethyl)amino]me...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNCc1ccncc1
Show InChI InChI=1S/C29H27N3O3/c1-33-28-15-24(16-29(34-2)27(28)19-32-18-21-11-13-31-14-12-21)35-20-23-9-6-10-25(26(23)17-30)22-7-4-3-5-8-22/h3-16,32H,18-20H2,1-2H3
PDB

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UniProtKB/SwissProt

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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