BDBM50074050 3-(1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl)-1-(2-tert-butoxycarbonylamino-3-phenyl-propionyl)-aziridine-2-carboxylic acid ethyl ester::CHEMBL2371128

SMILES: CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1

InChI Key: InChIKey=ZDAVRRBEGAWJCW-QUCJTTLMSA-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 = 50074050   

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 (Sus scrofa)	BDBM50074050 (3-(1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl)-1-...) Show SMILES CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C33H43N3O8/c1-7-42-31(40)27-26(28(37)34-25(18-21(2)3)30(39)43-20-23-16-12-9-13-17-23)36(27)29(38)24(19-22-14-10-8-11-15-22)35-32(41)44-33(4,5)6/h8-17,21,24-27H,7,18-20H2,1-6H3,(H,34,37)(H,35,41)/t24-,25+,26?,27?,36?/m0/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University of Freiburg Curated by ChEMBL					Assay Description Inhibition constant for the non time dependent inhibition of calpain 1				J Med Chem 42: 560-72 (1999) Article DOI: 10.1021/jm981061z BindingDB Entry DOI: 10.7270/Q2M907TZ
					More data for this Ligand-Target Pair
Calpain 2 (Sus scrofa)	BDBM50074050 (3-(1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl)-1-...) Show SMILES CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C33H43N3O8/c1-7-42-31(40)27-26(28(37)34-25(18-21(2)3)30(39)43-20-23-16-12-9-13-17-23)36(27)29(38)24(19-22-14-10-8-11-15-22)35-32(41)44-33(4,5)6/h8-17,21,24-27H,7,18-20H2,1-6H3,(H,34,37)(H,35,41)/t24-,25+,26?,27?,36?/m0/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University of Freiburg Curated by ChEMBL					Assay Description Inhibition constant for the non time dependent inhibition of Calpain 2				J Med Chem 42: 560-72 (1999) Article DOI: 10.1021/jm981061z BindingDB Entry DOI: 10.7270/Q2M907TZ
					More data for this Ligand-Target Pair
Pro-cathepsin H (Homo sapiens (Human))	BDBM50074050 (3-(1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl)-1-...) Show SMILES CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C33H43N3O8/c1-7-42-31(40)27-26(28(37)34-25(18-21(2)3)30(39)43-20-23-16-12-9-13-17-23)36(27)29(38)24(19-22-14-10-8-11-15-22)35-32(41)44-33(4,5)6/h8-17,21,24-27H,7,18-20H2,1-6H3,(H,34,37)(H,35,41)/t24-,25+,26?,27?,36?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University of Freiburg Curated by ChEMBL					Assay Description Inhibition constant for the non time dependent inhibition of cathepsin H				J Med Chem 42: 560-72 (1999) Article DOI: 10.1021/jm981061z BindingDB Entry DOI: 10.7270/Q2M907TZ
					More data for this Ligand-Target Pair