BDBM50053813 (1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)-propylcarbamoyl]-ethylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL133574

SMILES: CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCC2C=CC=CC2C1

InChI Key: InChIKey=XVYMHUPUYXWRAO-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 = 50053813   

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))	BDBM50053813 ((1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-1H-i...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCC2C=CC=CC2C1 |c:41,43| Show InChI InChI=1S/C36H46N4O5/c1-26(2)22-32(39-36(44)45-25-28-14-7-4-8-15-28)34(42)38-31(23-27-12-5-3-6-13-27)33(41)35(43)37-19-11-20-40-21-18-29-16-9-10-17-30(29)24-40/h3-10,12-17,26,29-32H,11,18-25H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	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
Calpain1 (Homo sapiens (Human))	BDBM50053813 ((1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-1H-i...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCC2C=CC=CC2C1 |c:41,43| Show InChI InChI=1S/C36H46N4O5/c1-26(2)22-32(39-36(44)45-25-28-14-7-4-8-15-28)34(42)38-31(23-27-12-5-3-6-13-27)33(41)35(43)37-19-11-20-40-21-18-29-16-9-10-17-30(29)24-40/h3-10,12-17,26,29-32H,11,18-25H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	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
Cathepsin B (Homo sapiens (Human))	BDBM50053813 ((1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-1H-i...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCC2C=CC=CC2C1 |c:41,43| Show InChI InChI=1S/C36H46N4O5/c1-26(2)22-32(39-36(44)45-25-28-14-7-4-8-15-28)34(42)38-31(23-27-12-5-3-6-13-27)33(41)35(43)37-19-11-20-40-21-18-29-16-9-10-17-30(29)24-40/h3-10,12-17,26,29-32H,11,18-25H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	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 human 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