Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM20096'   

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)	BDBM20096 (CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc1ccccc1 |r| Show InChI InChI=1S/C19H19N3O3/c20-11-12-21-18(23)17(13-15-7-3-1-4-8-15)22-19(24)25-14-16-9-5-2-6-10-16/h1-10,17H,12-14H2,(H,21,23)(H,22,24)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method				Bioorg Med Chem Lett 27: 5031-5035 (2017) Article DOI: 10.1016/j.bmcl.2017.10.002 BindingDB Entry DOI: 10.7270/Q2125W7D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM20096 (CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc1ccccc1 |r| Show InChI InChI=1S/C19H19N3O3/c20-11-12-21-18(23)17(13-15-7-3-1-4-8-15)22-19(24)25-14-16-9-5-2-6-10-16/h1-10,17H,12-14H2,(H,21,23)(H,22,24)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substra...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115743 BindingDB Entry DOI: 10.7270/Q27H1P7R
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM20096 (CHEMBL344174 | benzyl N-[(1S)-1-[(cyanomethyl)carb...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc1ccccc1 |r| Show InChI InChI=1S/C19H19N3O3/c20-11-12-21-18(23)17(13-15-7-3-1-4-8-15)22-19(24)25-14-16-9-5-2-6-10-16/h1-10,17H,12-14H2,(H,21,23)(H,22,24)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of Trypanosoma cruzi cruzipain using Z-Phe-Arg-7-amidomethylcoumarin as substrate measured after 5 mins by fluorometric analysis				Citation and Details Article DOI: 10.1039/d0md00097c BindingDB Entry DOI: 10.7270/Q2DJ5K9T
					More data for this Ligand-Target Pair