Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 412.3 BDBM282760

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
Vascular endothelial growth factor A (Homo sapiens (Human))	BDBM282760 (US9884843, Compound 104) Show SMILES OC1(CS(=O)(=O)c2ccc(Oc3cc(F)cc(c3)C#N)c(C#N)c12)C(F)(F)F Show InChI InChI=1S/C17H8F4N2O4S/c18-10-3-9(6-22)4-11(5-10)27-13-1-2-14-15(12(13)7-23)16(24,17(19,20)21)8-28(14,25)26/h1-5,24H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	7.5	n/a
PELOTON THERAPEUTICS, INC. US Patent					Assay Description The total assay volume was about 100 μL in the following configuration: 2-μL compound in DMSO, 88 μL buffer with protein and probe and...				US Patent US9884843 (2018) BindingDB Entry DOI: 10.7270/Q2HQ41Z0
					More data for this Ligand-Target Pair