Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 486.5 BDBM365907

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM365907 (1-({4-[(2-cyano-3- phenylphenyl)methoxy]-2,6- dime...) Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CN1CCCC(C1)C(O)=O Show InChI InChI=1S/C29H30N2O5/c1-34-27-14-23(15-28(35-2)26(27)18-31-13-7-11-21(17-31)29(32)33)36-19-22-10-6-12-24(25(22)16-30)20-8-4-3-5-9-20/h3-6,8-10,12,14-15,21H,7,11,13,17-19H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	555	n/a	n/a	n/a	n/a	n/a	n/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