Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 591.6 BDBM365937

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))	BDBM365937 ((2S)-2-(2-{2-[({2,6-dimethoxy- 4-[(2-methyl-3- phe...) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNCC(=O)NCC(=O)NC(CC(C)C)C(O)=O Show InChI InChI=1S/C33H41N3O7/c1-21(2)14-28(33(39)40)36-32(38)19-35-31(37)18-34-17-27-29(41-4)15-25(16-30(27)42-5)43-20-24-12-9-13-26(22(24)3)23-10-7-6-8-11-23/h6-13,15-16,21,28,34H,14,17-20H2,1-5H3,(H,35,37)(H,36,38)(H,39,40)	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