Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 431.3 BDBM41340Purchase

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
Cathepsin S (Homo sapiens (Human))	BDBM41340 (9-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-oxid...) Show SMILES CN1CCc2c(C1=O)n(CC(O)Cn1nc(C)c(Br)c1C)c1ccccc21 Show InChI InChI=1S/C20H23BrN4O2/c1-12-18(21)13(2)25(22-12)11-14(26)10-24-17-7-5-4-6-15(17)16-8-9-23(3)20(27)19(16)24/h4-7,14,26H,8-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2V69H02
					More data for this Ligand-Target Pair