BDBM50183377 CHEMBL383231::methyl 3-[(3-{[2-(methoxycarbonyl)thien-3-yl]amino}-3-oxopropanoyl)amino]thiophene-2-carboxylate

SMILES: COC(=O)c1sccc1NC(=O)CC(=O)Nc1ccsc1C(=O)OC

InChI Key: InChIKey=WZNVWZUBSGPUSQ-UHFFFAOYSA-N

Data: 2 IC50

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 = 50183377   

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
Cysteine protease falcipain-3 (Plasmodium falciparum)	BDBM50183377 (CHEMBL383231 | methyl 3-[(3-{[2-(methoxycarbonyl)t...) Show SMILES COC(=O)c1sccc1NC(=O)CC(=O)Nc1ccsc1C(=O)OC Show InChI InChI=1S/C15H14N2O6S2/c1-22-14(20)12-8(3-5-24-12)16-10(18)7-11(19)17-9-4-6-25-13(9)15(21)23-2/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain3				J Med Chem 49: 1576-84 (2006) Article DOI: 10.1021/jm0505765 BindingDB Entry DOI: 10.7270/Q2B27W35
					More data for this Ligand-Target Pair
Falcipain-2 (Plasmodium falciparum)	BDBM50183377 (CHEMBL383231 | methyl 3-[(3-{[2-(methoxycarbonyl)t...) Show SMILES COC(=O)c1sccc1NC(=O)CC(=O)Nc1ccsc1C(=O)OC Show InChI InChI=1S/C15H14N2O6S2/c1-22-14(20)12-8(3-5-24-12)16-10(18)7-11(19)17-9-4-6-25-13(9)15(21)23-2/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of falcipain2				J Med Chem 49: 1576-84 (2006) Article DOI: 10.1021/jm0505765 BindingDB Entry DOI: 10.7270/Q2B27W35
					More data for this Ligand-Target Pair