BDBM50405348 CHEMBL358868

SMILES: [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(Br)cc1

InChI Key: InChIKey=OZYGEJJCKTWNSX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50405348   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50405348 (CHEMBL358868) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(Br)cc1 Show InChI InChI=1S/C14H12BrN3O2/c15-10-3-7-12(8-4-10)20-13(19)9-1-5-11(6-2-9)18-14(16)17/h1-8H,(H4,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human trypsin and the control activity being 7.3 umol/min/mg				J Med Chem 29: 514-9 (1986) BindingDB Entry DOI: 10.7270/Q20C4WZ7
					More data for this Ligand-Target Pair
Acrosin (Homo sapiens (Human))	BDBM50405348 (CHEMBL358868) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(Br)cc1 Show InChI InChI=1S/C14H12BrN3O2/c15-10-3-7-12(8-4-10)20-13(19)9-1-5-11(6-2-9)18-14(16)17/h1-8H,(H4,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human acrosin and control activity being 11.3 umol/min/mg				J Med Chem 29: 514-9 (1986) BindingDB Entry DOI: 10.7270/Q20C4WZ7
					More data for this Ligand-Target Pair