Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cruzipain' and Ligand = 'BDBM50502835'   

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)	BDBM50502835 (CHEMBL4463665) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2/c21-14-20(11-12-20)23-19(25)17(13-15-7-3-1-4-8-15)22-18(24)16-9-5-2-6-10-16/h1-10,17H,11-13H2,(H,22,24)(H,23,25)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-FR-AMC as substrate by fluorescence assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116211 BindingDB Entry DOI: 10.7270/Q251431Q
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502835 (CHEMBL4463665) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2/c21-14-20(11-12-20)23-19(25)17(13-15-7-3-1-4-8-15)22-18(24)16-9-5-2-6-10-16/h1-10,17H,11-13H2,(H,22,24)(H,23,25)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		251	n/a	n/a	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)	BDBM50502835 (CHEMBL4463665) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2/c21-14-20(11-12-20)23-19(25)17(13-15-7-3-1-4-8-15)22-18(24)16-9-5-2-6-10-16/h1-10,17H,11-13H2,(H,22,24)(H,23,25)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	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
Cruzipain (Trypanosoma cruzi)	BDBM50502835 (CHEMBL4463665) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2/c21-14-20(11-12-20)23-19(25)17(13-15-7-3-1-4-8-15)22-18(24)16-9-5-2-6-10-16/h1-10,17H,11-13H2,(H,22,24)(H,23,25)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	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)	BDBM50502835 (CHEMBL4463665) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2/c21-14-20(11-12-20)23-19(25)17(13-15-7-3-1-4-8-15)22-18(24)16-9-5-2-6-10-16/h1-10,17H,11-13H2,(H,22,24)(H,23,25)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	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 Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083 BindingDB Entry DOI: 10.7270/Q29P34WR
					More data for this Ligand-Target Pair