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BDBM365888 2-[4-({[2- (dimethylamino)ethyl]amino} methyl)-3,5- dimethoxyphenoxymethyl]-6- phenylbenzonitrile::US9872852, Example 140

SMILES: COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNCCN(C)C

InChI Key: InChIKey=FOQIRHYDHROHMG-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 365888   
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
Programmed cell death 1 ligand 1


(Homo sapiens (Human))
BDBM365888
PNG
(2-[4-({[2- (dimethylamino)ethyl]amino} methyl)-3,5...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNCCN(C)C
Show InChI InChI=1S/C27H31N3O3/c1-30(2)14-13-29-18-25-26(31-3)15-22(16-27(25)32-4)33-19-21-11-8-12-23(24(21)17-28)20-9-6-5-7-10-20/h5-12,15-16,29H,13-14,18-19H2,1-4H3
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 53n/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