BDBM50189833 (S)-N-butyl-3-((S)-2-(4-fluorophenylsulfonamido)-3-methylbutanamido)-5-methyl-2-oxohexanamide::CHEMBL209457

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

InChI Key: InChIKey=LQVAVRLYUJNATG-OALUTQOASA-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 = 50189833   

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))	BDBM50189833 ((S)-N-butyl-3-((S)-2-(4-fluorophenylsulfonamido)-3...) Show SMILES CCCCNC(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C22H34FN3O5S/c1-6-7-12-24-22(29)20(27)18(13-14(2)3)25-21(28)19(15(4)5)26-32(30,31)17-10-8-16(23)9-11-17/h8-11,14-15,18-19,26H,6-7,12-13H2,1-5H3,(H,24,29)(H,25,28)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	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)	BDBM50189833 ((S)-N-butyl-3-((S)-2-(4-fluorophenylsulfonamido)-3...) Show SMILES CCCCNC(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C22H34FN3O5S/c1-6-7-12-24-22(29)20(27)18(13-14(2)3)25-21(28)19(15(4)5)26-32(30,31)17-10-8-16(23)9-11-17/h8-11,14-15,18-19,26H,6-7,12-13H2,1-5H3,(H,24,29)(H,25,28)/t18-,19-/m0/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	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