BDBM50189824 CHEMBL206737::N-(1-cyano-3-methylbutyl)-2-((4-fluorophenyl)sulfonamido)-3-methylbutanamide

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C#N

InChI Key: InChIKey=CZLFDTRTYWDKOE-HOCLYGCPSA-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 = 50189824   

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
Calpain1 (Homo sapiens (Human))	BDBM50189824 (CHEMBL206737 | N-(1-cyano-3-methylbutyl)-2-((4-flu...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C#N Show InChI InChI=1S/C17H24FN3O3S/c1-11(2)9-14(10-19)20-17(22)16(12(3)4)21-25(23,24)15-7-5-13(18)6-8-15/h5-8,11-12,14,16,21H,9H2,1-4H3,(H,20,22)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte mu calpain				J Med Chem 49: 3926-32 (2006) Article DOI: 10.1021/jm060157n BindingDB Entry DOI: 10.7270/Q21R6Q48
					More data for this Ligand-Target Pair
Calpain 2 (Sus scrofa)	BDBM50189824 (CHEMBL206737 | N-(1-cyano-3-methylbutyl)-2-((4-flu...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C#N Show InChI InChI=1S/C17H24FN3O3S/c1-11(2)9-14(10-19)20-17(22)16(12(3)4)21-25(23,24)15-7-5-13(18)6-8-15/h5-8,11-12,14,16,21H,9H2,1-4H3,(H,20,22)/t14-,16-/m0/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of porcein kidney m calpain				J Med Chem 49: 3926-32 (2006) Article DOI: 10.1021/jm060157n BindingDB Entry DOI: 10.7270/Q21R6Q48
					More data for this Ligand-Target Pair