Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'moreira' and Initial = 'dr'   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM24226 (1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...) Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank	n/a	n/a	4.20	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)	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)	BDBM50058809 (CHEMBL3329524) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc2ccccc2c1)c1ccccn1 Show InChI InChI=1S/C20H16N4S/c1-14(18-8-4-5-11-21-18)23-24-20-22-19(13-25-20)17-10-9-15-6-2-3-7-16(15)12-17/h2-13H,1H3,(H,22,24)/b23-14+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50393871 (CHEMBL2158234) Show SMILES Brc1ccc(cc1)-c1noc(n1)C(=O)NN=Cc1ccc2OCOc2c1 |w:16.18| Show InChI InChI=1S/C17H11BrN4O4/c18-12-4-2-11(3-5-12)15-20-17(26-22-15)16(23)21-19-8-10-1-6-13-14(7-10)25-9-24-13/h1-8H,9H2,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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 cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate after 10 mins				Bioorg Med Chem 20: 6423-33 (2012) Article DOI: 10.1016/j.bmc.2012.08.047 BindingDB Entry DOI: 10.7270/Q2W95B8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114613 ((1E)-1-(3-bromophenyl)propan-1-one thiosemicarbazo...) Show SMILES CCC(=NNC(N)=S)c1cccc(Br)c1 |w:3.3| Show InChI InChI=1S/C10H12BrN3S/c1-2-9(13-14-10(12)15)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H3,12,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114613 ((1E)-1-(3-bromophenyl)propan-1-one thiosemicarbazo...) Show SMILES CCC(=NNC(N)=S)c1cccc(Br)c1 |w:3.3| Show InChI InChI=1S/C10H12BrN3S/c1-2-9(13-14-10(12)15)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H3,12,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins				Bioorg Med Chem 18: 7826-35 (2010) Article DOI: 10.1016/j.bmc.2010.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J17
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50393873 (CHEMBL2158132) Show SMILES COc1cc(C=NNC(=O)c2nc(no2)-c2ccc(Cl)cc2)ccc1O |w:5.4| Show InChI InChI=1S/C17H13ClN4O4/c1-25-14-8-10(2-7-13(14)23)9-19-21-16(24)17-20-15(22-26-17)11-3-5-12(18)6-4-11/h2-9,23H,1H3,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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 cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate after 10 mins				Bioorg Med Chem 20: 6423-33 (2012) Article DOI: 10.1016/j.bmc.2012.08.047 BindingDB Entry DOI: 10.7270/Q2W95B8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50058806 (CHEMBL3329519) Show SMILES COc1ccc(cc1)-c1csc(N\N=C(/C)c2ccccn2)n1 Show InChI InChI=1S/C17H16N4OS/c1-12(15-5-3-4-10-18-15)20-21-17-19-16(11-23-17)13-6-8-14(22-2)9-7-13/h3-11H,1-2H3,(H,19,21)/b20-12+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114653 ((1E)-1-(3,4-dichlorophenyl)ethan-1-one thiosemicar...) Show SMILES CC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:2.2| Show InChI InChI=1S/C9H9Cl2N3S/c1-5(13-14-9(12)15)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H3,12,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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 Cruzain using Z-FR-AMC as substrate by fluorescence assay				Bioorg Med Chem 23: 7478-86 (2015) Article DOI: 10.1016/j.bmc.2015.10.048 BindingDB Entry DOI: 10.7270/Q2KH0Q4J
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50330929 (2-[(p-Methylphenyl)thiopropylidenehydrazinyl]-5-me...) Show SMILES Cc1sc(N=NCCCSc2ccccc2)nc1S |w:4.3| Show InChI InChI=1S/C13H15N3S3/c1-10-12(17)15-13(19-10)16-14-8-5-9-18-11-6-3-2-4-7-11/h2-4,6-7,17H,5,8-9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins				Bioorg Med Chem 18: 7826-35 (2010) Article DOI: 10.1016/j.bmc.2010.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J17
					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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50609885 (CHEMBL5273046) Show SMILES Cc1noc(n1)-c1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(cc2)C#N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	100	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)	BDBM50114653 ((1E)-1-(3,4-dichlorophenyl)ethan-1-one thiosemicar...) Show SMILES CC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:2.2| Show InChI InChI=1S/C9H9Cl2N3S/c1-5(13-14-9(12)15)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H3,12,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins				Bioorg Med Chem 18: 7826-35 (2010) Article DOI: 10.1016/j.bmc.2010.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J17
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50609892 (CHEMBL5291291) Show SMILES Cc1noc(n1)-c1ccc(CCN2CC[C@H](C2)Nc2nc3ccccc3n2Cc2ccc(cc2)C#N)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50469275 (CHEMBL4290673) Show SMILES Brc1ccc2[nH]cc(\C=N\NC(=O)CC#N)c2c1 Show InChI InChI=1S/C12H9BrN4O/c13-9-1-2-11-10(5-9)8(6-15-11)7-16-17-12(18)3-4-14/h1-2,5-7,15H,3H2,(H,17,18)/b16-7+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco (UFPE) Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 1 hr				Bioorg Med Chem 26: 5388-5396 (2018) Article DOI: 10.1016/j.bmc.2018.07.024 BindingDB Entry DOI: 10.7270/Q26T0QCC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50393872 (CHEMBL2158133) Show SMILES COc1cc(C=NNC(=O)c2nc(no2)-c2ccc(Br)cc2)ccc1O |w:5.4| Show InChI InChI=1S/C17H13BrN4O4/c1-25-14-8-10(2-7-13(14)23)9-19-21-16(24)17-20-15(22-26-17)11-3-5-12(18)6-4-11/h2-9,23H,1H3,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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 cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate after 10 mins				Bioorg Med Chem 20: 6423-33 (2012) Article DOI: 10.1016/j.bmc.2012.08.047 BindingDB Entry DOI: 10.7270/Q2W95B8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50330926 (2-[(p-Chlorophenylthio)propylide-1-enehydrazinyl]-...) Show SMILES Cc1sc(N=NCCCSc2ccc(Cl)cc2)nc1O |w:4.3| Show InChI InChI=1S/C13H14ClN3OS2/c1-9-12(18)16-13(20-9)17-15-7-2-8-19-11-5-3-10(14)4-6-11/h3-6,18H,2,7-8H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins				Bioorg Med Chem 18: 7826-35 (2010) Article DOI: 10.1016/j.bmc.2010.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J17
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50609889 (CHEMBL5275583) Show SMILES Cc1noc(n1)-c1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(nc2)C(F)(F)F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50469275 (CHEMBL4290673) Show SMILES Brc1ccc2[nH]cc(\C=N\NC(=O)CC#N)c2c1 Show InChI InChI=1S/C12H9BrN4O/c13-9-1-2-11-10(5-9)8(6-15-11)7-16-17-12(18)3-4-14/h1-2,5-7,15H,3H2,(H,17,18)/b16-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco (UFPE) Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human COX-2 expressed in Baculovirus infected Sf21 cells using arachidonic acid as substrate preincu...				Bioorg Med Chem 26: 5388-5396 (2018) Article DOI: 10.1016/j.bmc.2018.07.024 BindingDB Entry DOI: 10.7270/Q26T0QCC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco (UFPE) Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human COX-2 expressed in Baculovirus infected Sf21 cells using arachidonic acid as substrate preincu...				Bioorg Med Chem 26: 5388-5396 (2018) Article DOI: 10.1016/j.bmc.2018.07.024 BindingDB Entry DOI: 10.7270/Q26T0QCC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cruzipain (Trypanosoma cruzi)	BDBM50058805 (CHEMBL3329518) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(F)cc1)c1ccccn1 Show InChI InChI=1S/C16H13FN4S/c1-11(14-4-2-3-9-18-14)20-21-16-19-15(10-22-16)12-5-7-13(17)8-6-12/h2-10H,1H3,(H,19,21)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50609887 (CHEMBL5280818) Show SMILES Cc1noc(n1)-c1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2C)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	350	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)	BDBM50330928 (2-[(Phenylthio)propylide-1-enehydrazinyl]-5-methyl...) Show SMILES Cc1sc(N=NCCCSc2ccccc2)nc1O |w:4.3| Show InChI InChI=1S/C13H15N3OS2/c1-10-12(17)15-13(19-10)16-14-8-5-9-18-11-6-3-2-4-7-11/h2-4,6-7,17H,5,8-9H2,1H3	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 recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50058804 (CHEMBL3329515) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(C)cc1)c1ccccn1 Show InChI InChI=1S/C17H16N4S/c1-12-6-8-14(9-7-12)16-11-22-17(19-16)21-20-13(2)15-5-3-4-10-18-15/h3-11H,1-2H3,(H,19,21)/b20-13+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents 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 recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50157741 (CHEMBL374508 | E-64 | E64) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alagoas Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry				Bioorg Med Chem 24: 4228-4240 (2016) Article DOI: 10.1016/j.bmc.2016.07.013 BindingDB Entry DOI: 10.7270/Q2CZ393W
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50330928 (2-[(Phenylthio)propylide-1-enehydrazinyl]-5-methyl...) Show SMILES Cc1sc(N=NCCCSc2ccccc2)nc1O |w:4.3| Show InChI InChI=1S/C13H15N3OS2/c1-10-12(17)15-13(19-10)16-14-8-5-9-18-11-6-3-2-4-7-11/h2-4,6-7,17H,5,8-9H2,1H3	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
Federal University of Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins				Bioorg Med Chem 18: 7826-35 (2010) Article DOI: 10.1016/j.bmc.2010.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J17
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50058808 (CHEMBL3329521) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)c1ccccn1 Show InChI InChI=1S/C16H12Cl2N4S/c1-10(14-4-2-3-7-19-14)21-22-16-20-15(9-23-16)11-5-6-12(17)13(18)8-11/h2-9H,1H3,(H,20,22)/b21-10+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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 recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50609886 (CHEMBL5283963) Show SMILES FC(F)(F)c1noc(n1)-c1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(cc2)C#N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50609897 (CHEMBL5275108) Show SMILES COC(=O)c1ccc2n(C)c(NC3CCN(CCc4ccc(cc4)-c4nc(C)no4)CC3)nc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	490	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)	BDBM50558296 (CHEMBL4744510) Show SMILES CC\C(=N/Nc1nc(c(C)s1)-c1ccccc1)c1cccc(Br)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R
					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)	BDBM50282986 (CHEMBL3786939) Show SMILES C\C(=N/Nc1nc(C)cs1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C12H11Cl2N3S/c1-7-6-18-12(15-7)17-16-8(2)9-3-4-10(13)11(14)5-9/h3-6H,1-2H3,(H,15,17)/b16-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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 - UFPE Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain preincubated for 10 mins followed by Z-FR-AMC substrate addition measured for 5 mins at 12 secs t...				Eur J Med Chem 141: 346-361 (2017) Article DOI: 10.1016/j.ejmech.2017.09.047 BindingDB Entry DOI: 10.7270/Q2F1927C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50609890 (CHEMBL5273140) Show SMILES FC(F)(F)c1noc(n1)-c1ccc(CCN2CCC(CC2)Nc2nc3ccccc3[nH]2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50609891 (CHEMBL5267563) Show SMILES Cn1c(NC2CCN(CCc3ccc(cc3)-c3nc(no3)C(F)(F)F)CC2)nc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50609888 (CHEMBL5285111) Show SMILES Cc1noc(n1)-c1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2CC2CCCCC2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50469276 (CHEMBL4282782) Show SMILES O=C(CC#N)N\N=C\c1c[nH]c2ccccc12 Show InChI InChI=1S/C12H10N4O/c13-6-5-12(17)16-15-8-9-7-14-11-4-2-1-3-10(9)11/h1-4,7-8,14H,5H2,(H,16,17)/b15-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco (UFPE) Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human COX-2 expressed in Baculovirus infected Sf21 cells using arachidonic acid as substrate preincu...				Bioorg Med Chem 26: 5388-5396 (2018) Article DOI: 10.1016/j.bmc.2018.07.024 BindingDB Entry DOI: 10.7270/Q26T0QCC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50058803 (CHEMBL2409542) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C16H14N4S/c1-12(14-9-5-6-10-17-14)19-20-16-18-15(11-21-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,20)/b19-12+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50058802 (CHEMBL3329513) Show SMILES [O-][N+](=O)c1cccc(c1)-c1csc(N\N=C\c2ccccn2)n1 Show InChI InChI=1S/C15H11N5O2S/c21-20(22)13-6-3-4-11(8-13)14-10-23-15(18-14)19-17-9-12-5-1-2-7-16-12/h1-10H,(H,18,19)/b17-9+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50609893 (CHEMBL5286751) Show SMILES Cn1c(NC2CCN(CCc3ccc(cc3)-c3nc(no3)C(C)(C)C)CC2)nc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50469276 (CHEMBL4282782) Show SMILES O=C(CC#N)N\N=C\c1c[nH]c2ccccc12 Show InChI InChI=1S/C12H10N4O/c13-6-5-12(17)16-15-8-9-7-14-11-4-2-1-3-10(9)11/h1-4,7-8,14H,5H2,(H,16,17)/b15-8+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco (UFPE) Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 1 hr				Bioorg Med Chem 26: 5388-5396 (2018) Article DOI: 10.1016/j.bmc.2018.07.024 BindingDB Entry DOI: 10.7270/Q26T0QCC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50187500 (CHEMBL3828526) Show SMILES CCOC(=O)c1c2CCCCc2sc1\N=c1/scc(-c2ccccc2)n1CC=C Show InChI InChI=1S/C23H24N2O2S2/c1-3-14-25-18(16-10-6-5-7-11-16)15-28-23(25)24-21-20(22(26)27-4-2)17-12-8-9-13-19(17)29-21/h3,5-7,10-11,15H,1,4,8-9,12-14H2,2H3/b24-23-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Federal University of Alagoas Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry				Bioorg Med Chem 24: 4228-4240 (2016) Article DOI: 10.1016/j.bmc.2016.07.013 BindingDB Entry DOI: 10.7270/Q2CZ393W
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco (UFPE) Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 1 hr				Bioorg Med Chem 26: 5388-5396 (2018) Article DOI: 10.1016/j.bmc.2018.07.024 BindingDB Entry DOI: 10.7270/Q26T0QCC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50516805 (CHEMBL3785388) Show SMILES Cc1ccc(C)c(SC\C=N\NC(N)=S)c1 Show InChI InChI=1S/C11H15N3S2/c1-8-3-4-9(2)10(7-8)16-6-5-13-14-11(12)15/h3-5,7H,6H2,1-2H3,(H3,12,14,15)/b13-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Pernambuco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition and measured for 5 mins b...				Eur J Med Chem 180: 191-203 (2019) Article DOI: 10.1016/j.ejmech.2019.07.018 BindingDB Entry DOI: 10.7270/Q2M90D1Q
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50558297 (CHEMBL3787543) Show SMILES CC\C(=N/Nc1nc(c(C)s1)-c1ccc(Br)cc1)c1cccc(Br)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50058807 (CHEMBL3329520) Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1Cl)c1ccccn1 Show InChI InChI=1S/C16H12Cl2N4S/c1-10(14-4-2-3-7-19-14)21-22-16-20-15(9-23-16)12-6-5-11(17)8-13(12)18/h2-9H,1H3,(H,20,22)/b21-10+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Pernambuco Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst...				Eur J Med Chem 86: 48-59 (2014) Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400185 (CHEMBL2180342) Show SMILES CC(C)C1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:7.6,5.18| Show InChI InChI=1S/C21H23N3O2S/c1-15(2)19-20(25)24(17-10-6-4-7-11-17)21(27-19)23-22-16(3)14-26-18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	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 recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400195 (CHEMBL2180344) Show SMILES CC(COc1ccccc1)=NN=C1SC(C(=S)N1c1ccccc1)c1ccccc1 |w:10.11,12.18| Show InChI InChI=1S/C24H21N3OS2/c1-18(17-28-21-15-9-4-10-16-21)25-26-24-27(20-13-7-3-8-14-20)23(29)22(30-24)19-11-5-2-6-12-19/h2-16,22H,17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	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 recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400188 (CHEMBL2180670) Show SMILES CC(C)c1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:7.6| Show InChI InChI=1S/C16H21N3O2S/c1-11(2)14-15(20)19(4)16(22-14)18-17-12(3)10-21-13-8-6-5-7-9-13/h5-9,11,20H,10H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	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 recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50400197 (CHEMBL2180347) Show SMILES CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccc(OC)cc1 |w:6.5,4.17| Show InChI InChI=1S/C21H23N3O3S/c1-4-19-20(25)24(16-10-12-17(26-3)13-11-16)21(28-19)23-22-15(2)14-27-18-8-6-5-7-9-18/h5-13,19H,4,14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	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 recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition				J Med Chem 55: 10918-36 (2012) Article DOI: 10.1021/jm301518v BindingDB Entry DOI: 10.7270/Q22Z16N8
					More data for this Ligand-Target Pair

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