BDBM25895 N-heterocyclic dipeptide aldehyde, 13::methyl 5-{[(1S)-2-methyl-1-{[(2S)-4-methyl-1-oxopentan-2-yl]carbamoyl}propyl]carbamoyl}-1H-pyrrole-2-carboxylate

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

InChI Key: InChIKey=OHADBCSEOORETK-WFASDCNBSA-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 = 25895   

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))	BDBM25895 (N-heterocyclic dipeptide aldehyde, 13 | methyl 5-{...) Show SMILES COC(=O)c1ccc([nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C18H27N3O5/c1-10(2)8-12(9-22)19-17(24)15(11(3)4)21-16(23)13-6-7-14(20-13)18(25)26-5/h6-7,9-12,15,20H,8H2,1-5H3,(H,19,24)(H,21,23)/t12-,15-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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))	BDBM25895 (N-heterocyclic dipeptide aldehyde, 13 | methyl 5-{...) Show SMILES COC(=O)c1ccc([nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C18H27N3O5/c1-10(2)8-12(9-22)19-17(24)15(11(3)4)21-16(23)13-6-7-14(20-13)18(25)26-5/h6-7,9-12,15,20H,8H2,1-5H3,(H,19,24)(H,21,23)/t12-,15-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	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