Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 301.1 BDBM50045450

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

Found 2 hits 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 H (Capra hircus (Goat))	BDBM50045450 (CHEMBL3309800) Show SMILES Brc1ccc(cc1)C1CC(=NN1)c1ccccc1 |c:10| Show InChI InChI=1S/C15H13BrN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-9,15,18H,10H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Competitive inhibition of goat liver cathepsin H using Leu-betaNA substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 22: 4233-45 (2014) Article DOI: 10.1016/j.bmc.2014.05.037 BindingDB Entry DOI: 10.7270/Q25Q4XQH
					More data for this Ligand-Target Pair
Cathepsin B (Capra hircus (Goat))	BDBM50045450 (CHEMBL3309800) Show SMILES Brc1ccc(cc1)C1CC(=NN1)c1ccccc1 |c:10| Show InChI InChI=1S/C15H13BrN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-9,15,18H,10H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Competitive inhibition of goat liver cathepsin B using BANA substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 22: 4233-45 (2014) Article DOI: 10.1016/j.bmc.2014.05.037 BindingDB Entry DOI: 10.7270/Q25Q4XQH
					More data for this Ligand-Target Pair