BDBM50018989 CHEMBL3287460

SMILES: Cl.NC(=N)Nc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccccc1Br

InChI Key: InChIKey=XRRXARWDWYHNSU-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 = 50018989   

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))	BDBM50018989 (CHEMBL3287460) Show SMILES Cl.NC(=N)Nc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccccc1Br Show InChI InChI=1S/C17H14BrN5O2.ClH/c18-12-3-1-2-4-13(12)22-16(24)14-9-15(25-23-14)10-5-7-11(8-6-10)21-17(19)20;/h1-9H,(H,22,24)(H4,19,20,21);1H	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.79E+4	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