BDBM50080222 4-Methyl-pentanoic acid {(S)-1-benzyl-2-oxo-2-[2-(5-pyridin-2-yl-thiophene-2-sulfonylamino)-ethylcarbamoyl]-ethyl}-amide::CHEMBL76145

SMILES: CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1

InChI Key: InChIKey=INZYKFRIVKGLKF-QFIPXVFZSA-N

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 = 50080222   

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))	BDBM50080222 (4-Methyl-pentanoic acid {(S)-1-benzyl-2-oxo-2-[2-(...) Show SMILES CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C27H32N4O5S2/c1-19(2)11-13-24(32)31-22(18-20-8-4-3-5-9-20)26(33)27(34)29-16-17-30-38(35,36)25-14-12-23(37-25)21-10-6-7-15-28-21/h3-10,12,14-15,19,22,30H,11,13,16-18H2,1-2H3,(H,29,34)(H,31,32)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain 1				Bioorg Med Chem Lett 9: 2371-4 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BHT
					More data for this Ligand-Target Pair