BDBM50183402 CHEMBL205056::methyl 2-(2-(4-(4-chlorophenylsulfonyl)piperazin-1-yl)acetamido)thiophene-3-carboxylate

SMILES: COC(=O)c1ccsc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=SXCQDTVDTJGKTQ-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 = 50183402   

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)	BDBM50183402 (CHEMBL205056 | methyl 2-(2-(4-(4-chlorophenylsulfo...) Show SMILES COC(=O)c1ccsc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H20ClN3O5S2/c1-27-18(24)15-6-11-28-17(15)20-16(23)12-21-7-9-22(10-8-21)29(25,26)14-4-2-13(19)3-5-14/h2-6,11H,7-10,12H2,1H3,(H,20,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.92E+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)	BDBM50183402 (CHEMBL205056 | methyl 2-(2-(4-(4-chlorophenylsulfo...) Show SMILES COC(=O)c1ccsc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H20ClN3O5S2/c1-27-18(24)15-6-11-28-17(15)20-16(23)12-21-7-9-22(10-8-21)29(25,26)14-4-2-13(19)3-5-14/h2-6,11H,7-10,12H2,1H3,(H,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.43E+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