Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Anionic trypsin-2' and Ligand = 'BDBM50123416'   

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
Anionic trypsin-2 (Rattus norvegicus)	BDBM50123416 (((5-Carbamimidoyl-benzo[b]thiophen-2-ylmethyl)-{4-...) Show SMILES CCOC(=O)CS(=O)(=O)N(Cc1cc2cc(ccc2s1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1 Show InChI InChI=1S/C27H33N5O5S2/c1-3-36-26(33)17-39(34,35)32(16-24-15-20-14-19(27(29)30)4-9-25(20)38-24)21-5-7-22(8-6-21)37-23-10-12-31(13-11-23)18(2)28/h4-9,14-15,23,28H,3,10-13,16-17H2,1-2H3,(H3,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against trypsin				Bioorg Med Chem Lett 13: 561-6 (2003) BindingDB Entry DOI: 10.7270/Q2DB816X
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