Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'murta' and Initial = 'sm'   

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)	BDBM50117291 (CHEMBL3613587) Show SMILES NC(=S)N\N=C(/COc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 Show InChI InChI=1S/C15H12BrCl2N3OS/c16-10-3-1-9(2-4-10)14(20-21-15(19)23)8-22-11-5-6-12(17)13(18)7-11/h1-7H,8H2,(H3,19,21,23)/b20-14+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay				Eur J Med Chem 101: 818-35 (2015) Article DOI: 10.1016/j.ejmech.2015.06.048 BindingDB Entry DOI: 10.7270/Q22R3TG5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50117285 (CHEMBL3613583) Show SMILES NC(=S)N\N=C(/COc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 Show InChI InChI=1S/C15H12BrClFN3OS/c16-10-3-1-9(2-4-10)14(20-21-15(19)23)8-22-11-5-6-13(18)12(17)7-11/h1-7H,8H2,(H3,19,21,23)/b20-14+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay				Eur J Med Chem 101: 818-35 (2015) Article DOI: 10.1016/j.ejmech.2015.06.048 BindingDB Entry DOI: 10.7270/Q22R3TG5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50117281 (CHEMBL3613582) Show SMILES NC(=S)N\N=C(/COc1ccc(F)cc1)c1ccc(Br)cc1 Show InChI InChI=1S/C15H13BrFN3OS/c16-11-3-1-10(2-4-11)14(19-20-15(18)22)9-21-13-7-5-12(17)6-8-13/h1-8H,9H2,(H3,18,20,22)/b19-14+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay				Eur J Med Chem 101: 818-35 (2015) Article DOI: 10.1016/j.ejmech.2015.06.048 BindingDB Entry DOI: 10.7270/Q22R3TG5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50117278 (CHEMBL3613569) Show SMILES NC(=S)N\N=C(\COc1ccc(Br)cc1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H18BrN3OS/c22-18-10-12-19(13-11-18)26-14-20(24-25-21(23)27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H3,23,25,27)/b24-20-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay				Eur J Med Chem 101: 818-35 (2015) Article DOI: 10.1016/j.ejmech.2015.06.048 BindingDB Entry DOI: 10.7270/Q22R3TG5
					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
Cruzipain (Trypanosoma cruzi)	BDBM50322743 (8-chloro-N-(3-morpholinopropyl)-5H-pyrimido[5,4-b]...) Show SMILES Clc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1 Show InChI InChI=1S/C17H20ClN5O/c18-12-2-3-14-13(10-12)15-16(22-14)17(21-11-20-15)19-4-1-5-23-6-8-24-9-7-23/h2-3,10-11,22H,1,4-9H2,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	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
Cruzipain (Trypanosoma cruzi)	BDBM50233288 (CHEMBL460418) Show SMILES OCCCNc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C12H13ClN2O/c13-9-2-3-10-11(14-5-1-7-16)4-6-15-12(10)8-9/h2-4,6,8,16H,1,5,7H2,(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+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
Cruzipain (Trypanosoma cruzi)	BDBM50120739 ((7-Chloro-quinolin-4-yl)-(2-morpholin-4-yl-ethyl)-...) Show SMILES Clc1ccc2c(NCCN3CCOCC3)ccnc2c1 Show InChI InChI=1S/C15H18ClN3O/c16-12-1-2-13-14(3-4-17-15(13)11-12)18-5-6-19-7-9-20-10-8-19/h1-4,11H,5-10H2,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+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
Cruzipain (Trypanosoma cruzi)	BDBM50233286 (CHEMBL528696 | TCMDC-125506) Show SMILES Clc1ccc2c(NCc3ccccc3)ccnc2c1 Show InChI InChI=1S/C16H13ClN2/c17-13-6-7-14-15(8-9-18-16(14)10-13)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+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
Cruzipain (Trypanosoma cruzi)	BDBM50233287 (CHEMBL31000) Show SMILES OCCNc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H11ClN2O/c12-8-1-2-9-10(14-5-6-15)3-4-13-11(9)7-8/h1-4,7,15H,5-6H2,(H,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+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