BDBM50053819 (1-{1-Benzyl-2-[2-(4-dimethylamino-phenyl)-2-hydroxy-ethylcarbamoyl]-2-oxo-ethylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL132732

SMILES: CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(cc1)N(C)C

InChI Key: InChIKey=BOYYJGURIUGTOY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50053819   

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 (m-Calpain) (Homo sapiens (Human))	BDBM50053819 ((1-{1-Benzyl-2-[2-(4-dimethylamino-phenyl)-2-hydro...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C34H42N4O6/c1-23(2)19-29(37-34(43)44-22-25-13-9-6-10-14-25)32(41)36-28(20-24-11-7-5-8-12-24)31(40)33(42)35-21-30(39)26-15-17-27(18-16-26)38(3)4/h5-18,23,28-30,39H,19-22H2,1-4H3,(H,35,42)(H,36,41)(H,37,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Cysteine protease Calpain 2				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50053819 ((1-{1-Benzyl-2-[2-(4-dimethylamino-phenyl)-2-hydro...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C34H42N4O6/c1-23(2)19-29(37-34(43)44-22-25-13-9-6-10-14-25)32(41)36-28(20-24-11-7-5-8-12-24)31(40)33(42)35-21-30(39)26-15-17-27(18-16-26)38(3)4/h5-18,23,28-30,39H,19-22H2,1-4H3,(H,35,42)(H,36,41)(H,37,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of bovine cathepsin B				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50053819 ((1-{1-Benzyl-2-[2-(4-dimethylamino-phenyl)-2-hydro...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C34H42N4O6/c1-23(2)19-29(37-34(43)44-22-25-13-9-6-10-14-25)32(41)36-28(20-24-11-7-5-8-12-24)31(40)33(42)35-21-30(39)26-15-17-27(18-16-26)38(3)4/h5-18,23,28-30,39H,19-22H2,1-4H3,(H,35,42)(H,36,41)(H,37,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of the cysteine protease human Calpain 1				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair