BDBM50010107 CHEMBL2418015

SMILES: NC(=N)c1ccc(COc2ccc(cc2I)C(N)=N)cc1

InChI Key: InChIKey=SGJKGZYNSKMOEM-UHFFFAOYSA-N

Data: 1 KI

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 = 50010107   

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 (Sus scrofa)	BDBM50010107 (CHEMBL2418015) Show SMILES NC(=N)c1ccc(COc2ccc(cc2I)C(N)=N)cc1 Show InChI InChI=1S/C15H15IN4O/c16-12-7-11(15(19)20)5-6-13(12)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H3,17,18)(H3,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis				J Med Chem 21: 1132-6 (1979) BindingDB Entry DOI: 10.7270/Q2TT4SGN
					More data for this Ligand-Target Pair