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BDBM365885 2-[3,5-dimethoxy-4-({[3-(2- oxopyrrolidin-1- yl)propyl]amino}methyl) phenoxymethyl]-6- phenylbenzonitrile::US9872852, Example 137

SMILES: COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNCCCN1CCCC1=O

InChI Key: InChIKey=RLERFXIAHSTVIC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 365885   
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))		BDBM365885
PNG
(2-[3,5-dimethoxy-4-({[3-(2- oxopyrrolidin-1- yl)pr...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNCCCN1CCCC1=O
Show InChI InChI=1S/C30H33N3O4/c1-35-28-17-24(18-29(36-2)27(28)20-32-14-8-16-33-15-7-13-30(33)34)37-21-23-11-6-12-25(26(23)19-31)22-9-4-3-5-10-22/h3-6,9-12,17-18,32H,7-8,13-16,20-21H2,1-2H3
PDB

UniProtKB/SwissProt

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



Novartis Pharmaceuticals



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...

J Med Chem 51: 4-16 (2008)


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