Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50026499   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cruzipain (Trypanosoma cruzi)	BDBM50229129 (4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34| Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain by fluorescence technique				Bioorg Med Chem Lett 18: 5860-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.012 BindingDB Entry DOI: 10.7270/Q21N80Z2
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50246972 ((3S,5R,11S)-11-(2-Benzenesulfonyl-vinyl)-3-isobuty...) Show SMILES CC(C)C[C@@H]1N[C@H](CCCCC[C@H](NC1=O)C=CS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1 |r,w:17.18| Show InChI InChI=1S/C28H37N3O4S/c1-21(2)20-26-28(33)30-23(18-19-36(34,35)24-15-9-5-10-16-24)14-8-4-11-17-25(31-26)27(32)29-22-12-6-3-7-13-22/h3,5-7,9-10,12-13,15-16,18-19,21,23,25-26,31H,4,8,11,14,17,20H2,1-2H3,(H,29,32)(H,30,33)/t23-,25+,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain by fluorescence technique				Bioorg Med Chem Lett 18: 5860-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.012 BindingDB Entry DOI: 10.7270/Q21N80Z2
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50246971 ((3S,5R,10S)-3-isobutyl-2-oxo-N-phenyl-10-(2-(pheny...) Show SMILES CC(C)C[C@@H]1N[C@H](CCCC[C@H](NC1=O)C=CS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1 |r,w:16.17| Show InChI InChI=1S/C27H35N3O4S/c1-20(2)19-25-27(32)29-22(17-18-35(33,34)23-14-7-4-8-15-23)13-9-10-16-24(30-25)26(31)28-21-11-5-3-6-12-21/h3-8,11-12,14-15,17-18,20,22,24-25,30H,9-10,13,16,19H2,1-2H3,(H,28,31)(H,29,32)/t22-,24+,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain by fluorescence technique				Bioorg Med Chem Lett 18: 5860-3 (2008) Article DOI: 10.1016/j.bmcl.2008.06.012 BindingDB Entry DOI: 10.7270/Q21N80Z2
					More data for this Ligand-Target Pair