Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 377.4 BDBM50354884

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
Acrosin (Homo sapiens (Human))	BDBM50354884 (CHEMBL1834510) Show SMILES CCOC(=O)c1cc(n[nH]1)-c1ccc(NC(=O)C(CC)c2ccccc2)cc1 Show InChI InChI=1S/C22H23N3O3/c1-3-18(15-8-6-5-7-9-15)21(26)23-17-12-10-16(11-13-17)19-14-20(25-24-19)22(27)28-4-2/h5-14,18H,3-4H2,1-2H3,(H,23,26)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human acrosin using N-alpha-benzoyl-DL-arginine para-nitroanilide-HCl as substrate after 3 hrs by spectrophotometry				Bioorg Med Chem Lett 21: 5822-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.110 BindingDB Entry DOI: 10.7270/Q2Z32020
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