BDBM50371566 CHEMBL407354

SMILES: CS(=O)(=O)C=CCNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1

InChI Key: InChIKey=PHUABTSYWDBBFI-XMMPIXPASA-N

Data: 2 KI  1 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 3 hits for monomerid = 50371566   

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
Falcipain-2 (Plasmodium falciparum)	BDBM50371566 (CHEMBL407354) Show SMILES CS(=O)(=O)C=CCNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |w:5.5,c:19| Show InChI InChI=1S/C30H26ClF3N4O6S/c1-45(42,43)15-7-14-35-26(39)17-38-25-11-6-5-10-21(25)27(19-8-3-2-4-9-19)36-24(28(38)40)18-44-29(41)37-23-13-12-20(31)16-22(23)30(32,33)34/h2-13,15-16,24H,14,17-18H2,1H3,(H,35,39)(H,37,41)/t24-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2				J Med Chem 51: 988-96 (2008) Article DOI: 10.1021/jm701141u BindingDB Entry DOI: 10.7270/Q2SX6F2M
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50371566 (CHEMBL407354) Show SMILES CS(=O)(=O)C=CCNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |w:5.5,c:19| Show InChI InChI=1S/C30H26ClF3N4O6S/c1-45(42,43)15-7-14-35-26(39)17-38-25-11-6-5-10-21(25)27(19-8-3-2-4-9-19)36-24(28(38)40)18-44-29(41)37-23-13-12-20(31)16-22(23)30(32,33)34/h2-13,15-16,24H,14,17-18H2,1H3,(H,35,39)(H,37,41)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				J Med Chem 51: 988-96 (2008) Article DOI: 10.1021/jm701141u BindingDB Entry DOI: 10.7270/Q2SX6F2M
					More data for this Ligand-Target Pair
Falcipain-2 (Plasmodium falciparum)	BDBM50371566 (CHEMBL407354) Show SMILES CS(=O)(=O)C=CCNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |w:5.5,c:19| Show InChI InChI=1S/C30H26ClF3N4O6S/c1-45(42,43)15-7-14-35-26(39)17-38-25-11-6-5-10-21(25)27(19-8-3-2-4-9-19)36-24(28(38)40)18-44-29(41)37-23-13-12-20(31)16-22(23)30(32,33)34/h2-13,15-16,24H,14,17-18H2,1H3,(H,35,39)(H,37,41)/t24-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2				J Med Chem 51: 988-96 (2008) Article DOI: 10.1021/jm701141u BindingDB Entry DOI: 10.7270/Q2SX6F2M
					More data for this Ligand-Target Pair