BDBM50053800 (1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-propylcarbamoyl]-ethylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL132611

SMILES: CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCCC2C=CC=CC12

InChI Key: InChIKey=UEGOQZVAGRIZMF-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 = 50053800   

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
Cathepsin B (Bos taurus (bovine))	BDBM50053800 ((1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-2H-q...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCCC2C=CC=CC12 |c:42,44| Show InChI InChI=1S/C36H46N4O5/c1-26(2)23-31(39-36(44)45-25-28-15-7-4-8-16-28)34(42)38-30(24-27-13-5-3-6-14-27)33(41)35(43)37-20-12-22-40-21-11-18-29-17-9-10-19-32(29)40/h3-10,13-17,19,26,29-32H,11-12,18,20-25H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	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
Calpain-2 (m-Calpain) (Homo sapiens (Human))	BDBM50053800 ((1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-2H-q...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCCC2C=CC=CC12 |c:42,44| Show InChI InChI=1S/C36H46N4O5/c1-26(2)23-31(39-36(44)45-25-28-15-7-4-8-16-28)34(42)38-30(24-27-13-5-3-6-14-27)33(41)35(43)37-20-12-22-40-21-11-18-29-17-9-10-19-32(29)40/h3-10,13-17,19,26,29-32H,11-12,18,20-25H2,1-2H3,(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	0.260	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))	BDBM50053800 ((1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-2H-q...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCCC2C=CC=CC12 |c:42,44| Show InChI InChI=1S/C36H46N4O5/c1-26(2)23-31(39-36(44)45-25-28-15-7-4-8-16-28)34(42)38-30(24-27-13-5-3-6-14-27)33(41)35(43)37-20-12-22-40-21-11-18-29-17-9-10-19-32(29)40/h3-10,13-17,19,26,29-32H,11-12,18,20-25H2,1-2H3,(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	0.380	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