BDBM50018974 CHEMBL3287446

SMILES: Cl.COc1ccc(NC(=O)c2cc(on2)-c2ccc(NC(N)=N)cc2)c(OC)c1

InChI Key: InChIKey=GEWCIYBFJPBNEZ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50018974   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acrosin (Homo sapiens (Human))	BDBM50018974 (CHEMBL3287446) Show SMILES Cl.COc1ccc(NC(=O)c2cc(on2)-c2ccc(NC(N)=N)cc2)c(OC)c1 Show InChI InChI=1S/C19H19N5O4.ClH/c1-26-13-7-8-14(17(9-13)27-2)23-18(25)15-10-16(28-24-15)11-3-5-12(6-4-11)22-19(20)21;/h3-10H,1-2H3,(H,23,25)(H4,20,21,22);1H	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	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-L-arginine p-nitroanilide as substrate after 3 hrs by spectrophotometry				Bioorg Med Chem Lett 24: 2802-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.118 BindingDB Entry DOI: 10.7270/Q2J38V4S
					More data for this Ligand-Target Pair