BDBM50371568 CHEMBL408071

SMILES: FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCC=CS(=O)(=O)c2ccccc2)C1=O

InChI Key: InChIKey=RNHSSDNFJFFHOV-GDLZYMKVSA-N

Data: 3 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 4 hits for monomerid = 50371568   

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)	BDBM50371568 (CHEMBL408071) Show SMILES FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCC=CS(=O)(=O)c2ccccc2)C1=O |w:37.39,t:18| Show InChI InChI=1S/C35H28ClF3N4O6S/c36-24-16-17-28(27(20-24)35(37,38)39)42-34(46)49-22-29-33(45)43(21-31(44)40-18-9-19-50(47,48)25-12-5-2-6-13-25)30-15-8-7-14-26(30)32(41-29)23-10-3-1-4-11-23/h1-17,19-20,29H,18,21-22H2,(H,40,44)(H,42,46)/t29-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	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))	BDBM50371568 (CHEMBL408071) Show SMILES FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCC=CS(=O)(=O)c2ccccc2)C1=O |w:37.39,t:18| Show InChI InChI=1S/C35H28ClF3N4O6S/c36-24-16-17-28(27(20-24)35(37,38)39)42-34(46)49-22-29-33(45)43(21-31(44)40-18-9-19-50(47,48)25-12-5-2-6-13-25)30-15-8-7-14-26(30)32(41-29)23-10-3-1-4-11-23/h1-17,19-20,29H,18,21-22H2,(H,40,44)(H,42,46)/t29-/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	4.60E+3	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
Procathepsin L (Homo sapiens (Human))	BDBM50371568 (CHEMBL408071) Show SMILES FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCC=CS(=O)(=O)c2ccccc2)C1=O |w:37.39,t:18| Show InChI InChI=1S/C35H28ClF3N4O6S/c36-24-16-17-28(27(20-24)35(37,38)39)42-34(46)49-22-29-33(45)43(21-31(44)40-18-9-19-50(47,48)25-12-5-2-6-13-25)30-15-8-7-14-26(30)32(41-29)23-10-3-1-4-11-23/h1-17,19-20,29H,18,21-22H2,(H,40,44)(H,42,46)/t29-/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	2.19E+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 L				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)	BDBM50371568 (CHEMBL408071) Show SMILES FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCC=CS(=O)(=O)c2ccccc2)C1=O |w:37.39,t:18| Show InChI InChI=1S/C35H28ClF3N4O6S/c36-24-16-17-28(27(20-24)35(37,38)39)42-34(46)49-22-29-33(45)43(21-31(44)40-18-9-19-50(47,48)25-12-5-2-6-13-25)30-15-8-7-14-26(30)32(41-29)23-10-3-1-4-11-23/h1-17,19-20,29H,18,21-22H2,(H,40,44)(H,42,46)/t29-/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