null

SMILES: CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1

InChI Key: InChIKey=ZFCOHUXSAMOVMV-VXKWHMMOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50108869   

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)	BDBM50108869 (3-(3-{4-Methyl-2-[(morpholine-4-carbonyl)-amino]-p...) Show SMILES CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 Show InChI InChI=1S/C26H39N3O6S/c1-4-35-24(31)10-15-36-18-23(30)21(17-20-8-6-5-7-9-20)27-25(32)22(16-19(2)3)28-26(33)29-11-13-34-14-12-29/h5-9,19,21-22H,4,10-18H2,1-3H3,(H,27,32)(H,28,33)/t21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69.6	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)	BDBM50108869 (3-(3-{4-Methyl-2-[(morpholine-4-carbonyl)-amino]-p...) Show SMILES CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 Show InChI InChI=1S/C26H39N3O6S/c1-4-35-24(31)10-15-36-18-23(30)21(17-20-8-6-5-7-9-20)27-25(32)22(16-19(2)3)28-26(33)29-11-13-34-14-12-29/h5-9,19,21-22H,4,10-18H2,1-3H3,(H,27,32)(H,28,33)/t21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69.6	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