null

SMILES: CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1

InChI Key: InChIKey=ZKFBSJDSXZREPL-SVBPBHIXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50108851   

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
Cruzipain (Trypanosoma cruzi)	BDBM50108851 (CHEMBL159247 | Morpholine-4-carboxylic acid {1-[1-...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1 Show InChI InChI=1S/C30H41N3O4S/c1-23(2)20-27(32-30(36)33-15-17-37-18-16-33)29(35)31-26(21-25-12-7-4-8-13-25)28(34)22-38-19-9-14-24-10-5-3-6-11-24/h3-8,10-13,23,26-27H,9,14-22H2,1-2H3,(H,31,35)(H,32,36)/t26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem 16: 838-53 (2008) Article DOI: 10.1016/j.bmc.2007.10.048 BindingDB Entry DOI: 10.7270/Q2H70GPF
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50108851 (CHEMBL159247 | Morpholine-4-carboxylic acid {1-[1-...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1 Show InChI InChI=1S/C30H41N3O4S/c1-23(2)20-27(32-30(36)33-15-17-37-18-16-33)29(35)31-26(21-25-12-7-4-8-13-25)28(34)22-38-19-9-14-24-10-5-3-6-11-24/h3-8,10-13,23,26-27H,9,14-22H2,1-2H3,(H,31,35)(H,32,36)/t26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against cruzain, the major cysteine protease found in T. cruzi				J Med Chem 45: 676-84 (2002) BindingDB Entry DOI: 10.7270/Q2ZK5G0V
					More data for this Ligand-Target Pair