Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50233289'   

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)	BDBM50233289 (CHEMBL1241726) Show SMILES Clc1ccc2c(NCCCN3CCOCC3)ccnc2c1 Show InChI InChI=1S/C16H20ClN3O/c17-13-2-3-14-15(4-6-19-16(14)12-13)18-5-1-7-20-8-10-21-11-9-20/h2-4,6,12H,1,5,7-11H2,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Trypanosoma cruzi cruzain in presence of varying levels of Z-phe-Arg-amidomethylcoumarin substrate by Lineweave...				Bioorg Med Chem 25: 1889-1900 (2017) Article DOI: 10.1016/j.bmc.2017.02.009 BindingDB Entry DOI: 10.7270/Q21838R0
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50233289 (CHEMBL1241726) Show SMILES Clc1ccc2c(NCCCN3CCOCC3)ccnc2c1 Show InChI InChI=1S/C16H20ClN3O/c17-13-2-3-14-15(4-6-19-16(14)12-13)18-5-1-7-20-8-10-21-11-9-20/h2-4,6,12H,1,5,7-11H2,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50233289 (CHEMBL1241726) Show SMILES Clc1ccc2c(NCCCN3CCOCC3)ccnc2c1 Show InChI InChI=1S/C16H20ClN3O/c17-13-2-3-14-15(4-6-19-16(14)12-13)18-5-1-7-20-8-10-21-11-9-20/h2-4,6,12H,1,5,7-11H2,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-amidomethylcoumarin as substrate by fluorometric method				Bioorg Med Chem 25: 1889-1900 (2017) Article DOI: 10.1016/j.bmc.2017.02.009 BindingDB Entry DOI: 10.7270/Q21838R0
					More data for this Ligand-Target Pair