BDBM50053860 CHEMBL131639::[1-(1-{2-[3-(3,4-Dichloro-phenoxy)-phenyl]-2-hydroxy-ethylaminooxalyl}-propylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1

InChI Key: InChIKey=PBXPKBVKBJPJNW-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 = 50053860   

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))	BDBM50053860 (CHEMBL131639 | [1-(1-{2-[3-(3,4-Dichloro-phenoxy)-...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C33H37Cl2N3O7/c1-4-27(37-31(41)28(15-20(2)3)38-33(43)44-19-21-9-6-5-7-10-21)30(40)32(42)36-18-29(39)22-11-8-12-23(16-22)45-24-13-14-25(34)26(35)17-24/h5-14,16-17,20,27-29,39H,4,15,18-19H2,1-3H3,(H,36,42)(H,37,41)(H,38,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	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))	BDBM50053860 (CHEMBL131639 | [1-(1-{2-[3-(3,4-Dichloro-phenoxy)-...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C33H37Cl2N3O7/c1-4-27(37-31(41)28(15-20(2)3)38-33(43)44-19-21-9-6-5-7-10-21)30(40)32(42)36-18-29(39)22-11-8-12-23(16-22)45-24-13-14-25(34)26(35)17-24/h5-14,16-17,20,27-29,39H,4,15,18-19H2,1-3H3,(H,36,42)(H,37,41)(H,38,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	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))	BDBM50053860 (CHEMBL131639 | [1-(1-{2-[3-(3,4-Dichloro-phenoxy)-...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C33H37Cl2N3O7/c1-4-27(37-31(41)28(15-20(2)3)38-33(43)44-19-21-9-6-5-7-10-21)30(40)32(42)36-18-29(39)22-11-8-12-23(16-22)45-24-13-14-25(34)26(35)17-24/h5-14,16-17,20,27-29,39H,4,15,18-19H2,1-3H3,(H,36,42)(H,37,41)(H,38,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	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