BDBM50291207 3-[(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester::CHEMBL150256

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C1Cc2ccccc2CN1C(=O)OCc1ccccc1)C=O

InChI Key: InChIKey=ILWJGJKGBMWBBC-TXIPYEPDSA-N

Data: 1 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 1 hit for monomerid = 50291207   

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))	BDBM50291207 (3-[(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoyl)-3-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C1Cc2ccccc2CN1C(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C30H39N3O5/c1-20(2)14-25(18-34)31-28(35)26(15-21(3)4)32-29(36)27-16-23-12-8-9-13-24(23)17-33(27)30(37)38-19-22-10-6-5-7-11-22/h5-13,18,20-21,25-27H,14-17,19H2,1-4H3,(H,31,35)(H,32,36)/t25-,26-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity evaluated against recombinant human calpain 1				Bioorg Med Chem Lett 7: 539-544 (1997) Article DOI: 10.1016/S0960-894X(97)00063-2 BindingDB Entry DOI: 10.7270/Q2W37WBM
					More data for this Ligand-Target Pair