BDBM50108843 CHEMBL350102::Morpholine-4-carboxylic acid {1-[1-benzyl-2-oxo-3-(3-phenyl-propylsulfanyl)-propylcarbamoyl]-2-phenyl-ethyl}-amide::N-((S)-1-oxo-1-((S)-3-oxo-1-phenyl-4-(3-phenylpropylthio)butan-2-ylamino)-3-phenylpropan-2-yl)morpholine-4-carboxamide

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

InChI Key: InChIKey=OPXNDNRDMGBPJU-KYJUHHDHSA-N

Data: 2 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 2 hits for monomerid = 50108843   

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)	BDBM50108843 (CHEMBL350102 | Morpholine-4-carboxylic acid {1-[1-...) Show SMILES O=C(CSCCCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C33H39N3O4S/c37-31(25-41-22-10-17-26-11-4-1-5-12-26)29(23-27-13-6-2-7-14-27)34-32(38)30(24-28-15-8-3-9-16-28)35-33(39)36-18-20-40-21-19-36/h1-9,11-16,29-30H,10,17-25H2,(H,34,38)(H,35,39)/t29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	216	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)	BDBM50108843 (CHEMBL350102 | Morpholine-4-carboxylic acid {1-[1-...) Show SMILES O=C(CSCCCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C33H39N3O4S/c37-31(25-41-22-10-17-26-11-4-1-5-12-26)29(23-27-13-6-2-7-14-27)34-32(38)30(24-28-15-8-3-9-16-28)35-33(39)36-18-20-40-21-19-36/h1-9,11-16,29-30H,10,17-25H2,(H,34,38)(H,35,39)/t29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	216	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