BDBM25894 (2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-[(5-methyl-1H-pyrrol-2-yl)formamido]butanamide::N-heterocyclic dipeptide aldehyde, 12

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)[nH]1)C(C)C)C=O

InChI Key: InChIKey=KGATUYHLXBXDBX-ZFWWWQNUSA-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 = 25894   

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
Calpain-2 (Ovis aries (sheep))	BDBM25894 ((2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)[nH]1)C(C)C)C=O |r| Show InChI InChI=1S/C17H27N3O3/c1-10(2)8-13(9-21)19-17(23)15(11(3)4)20-16(22)14-7-6-12(5)18-14/h6-7,9-11,13,15,18H,8H2,1-5H3,(H,19,23)(H,20,22)/t13-,15-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.5	25
University of Canterbury					Assay Description Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...				Bioorg Med Chem 16: 6911-23 (2008) Article DOI: 10.1016/j.bmc.2008.05.048 BindingDB Entry DOI: 10.7270/Q2C53J5R
					More data for this Ligand-Target Pair
Calpain-1 (Ovis aries (sheep))	BDBM25894 ((2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)[nH]1)C(C)C)C=O |r| Show InChI InChI=1S/C17H27N3O3/c1-10(2)8-13(9-21)19-17(23)15(11(3)4)20-16(22)14-7-6-12(5)18-14/h6-7,9-11,13,15,18H,8H2,1-5H3,(H,19,23)(H,20,22)/t13-,15-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	7.5	25
University of Canterbury					Assay Description Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...				Bioorg Med Chem 16: 6911-23 (2008) Article DOI: 10.1016/j.bmc.2008.05.048 BindingDB Entry DOI: 10.7270/Q2C53J5R
					More data for this Ligand-Target Pair