BDBM50113849 3-[3-Oxo-3-piperidin-1-yl-2-(toluene-4-sulfonylamino)-propyl]-benzamidine

SMILES: Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=[NH2+])C(=O)N1CCCCC1

InChI Key: InChIKey=RNNMXTSTLVYYQG-UHFFFAOYSA-O

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 = 50113849   

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))	BDBM50113849 (3-[3-Oxo-3-piperidin-1-yl-2-(toluene-4-sulfonylami...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=[NH2+])C(=O)N1CCCCC1 Show InChI InChI=1S/C22H28N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20,25H,2-4,12-13,15H2,1H3,(H3,23,24)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Binding affinity against bovine trypsin				J Med Chem 45: 2469-83 (2002) BindingDB Entry DOI: 10.7270/Q28916J7
					More data for this Ligand-Target Pair