Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 463.4 BDBM337718

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
Chymase (Homo sapiens (Human))	BDBM337718 (1-{4-[(2-Hydroxyethyl)amino]phenyl}-3-[2-methyl-3-...) Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc(NCCO)cc3)c2=O)C(O)=O)cccc1C(F)(F)F Show InChI InChI=1S/C22H20F3N3O5/c1-13-14(3-2-4-18(13)22(23,24)25)11-28-19(30)17(20(31)32)12-27(21(28)33)16-7-5-15(6-8-16)26-9-10-29/h2-8,12,26,29H,9-11H2,1H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...				US Patent US9751843 (2017) BindingDB Entry DOI: 10.7270/Q2V98B6B
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