Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'cohen' and Initial = 'fe'   

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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory constant against human adenosne A3 receptor				J Med Chem 50: 65-73 (2007) Article DOI: 10.1021/jm061045z BindingDB Entry DOI: 10.7270/Q2TD9Z40
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory constant aganist human adenosine A1 receptor				J Med Chem 50: 65-73 (2007) Article DOI: 10.1021/jm061045z BindingDB Entry DOI: 10.7270/Q2TD9Z40
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50202002 (2-amino-4-(2-chlorophenyl)-6-(2-(diethylamino)ethy...) Show SMILES CCN(CC)CCSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N |(30.4,-.59,;29.07,-1.36,;29.07,-2.9,;30.41,-3.67,;31.74,-2.89,;27.74,-3.68,;26.41,-2.92,;26.41,-1.38,;25.07,-.61,;23.74,-1.38,;22.4,-.61,;21.07,-1.38,;22.41,.93,;21.07,1.7,;19.74,2.48,;23.73,1.7,;23.73,3.24,;22.39,4,;22.38,5.54,;23.72,6.32,;25.05,5.55,;25.06,4.01,;26.39,3.24,;25.07,.94,;26.4,1.72,;27.73,2.49,)| Show InChI InChI=1S/C19H20ClN5S/c1-3-25(4-2)9-10-26-19-15(12-22)17(14(11-21)18(23)24-19)13-7-5-6-8-16(13)20/h5-8H,3-4,9-10H2,1-2H3,(H2,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory constant aganist human adenosine A1 receptor				J Med Chem 50: 65-73 (2007) Article DOI: 10.1021/jm061045z BindingDB Entry DOI: 10.7270/Q2TD9Z40
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory constant against human adenosine A2a receptor				J Med Chem 50: 65-73 (2007) Article DOI: 10.1021/jm061045z BindingDB Entry DOI: 10.7270/Q2TD9Z40
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cruzipain (Trypanosoma cruzi)	BDBM50114631 ((1E)-1-[3,5-bis(trifluoromethyl)phenyl]propan-1-on...) Show SMILES CCC(=NNC(N)=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:3.3| Show InChI InChI=1S/C12H11F6N3S/c1-2-9(20-21-10(19)22)6-3-7(11(13,14)15)5-8(4-6)12(16,17)18/h3-5H,2H2,1H3,(H3,19,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114608 ((1E)-1-(3,4-dichlorophenyl)propan-1-one thiosemica...) Show SMILES CCC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:3.3| Show InChI InChI=1S/C10H11Cl2N3S/c1-2-9(14-15-10(13)16)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3,(H3,13,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114667 (4-Methyl-3-(3-trifluoromethyl-phenyl)-4,5-dihydro-...) Show SMILES CC1CN(N=C1c1cccc(c1)C(F)(F)F)C(N)=S |c:4| Show InChI InChI=1S/C12H12F3N3S/c1-7-6-18(11(16)19)17-10(7)8-3-2-4-9(5-8)12(13,14)15/h2-5,7H,6H2,1H3,(H2,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					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	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114645 ((1E)-1-(3-trifluoromethyl-phenyl)propan-1-one thio...) Show SMILES CCC(=NNC(N)=S)c1cccc(c1)C(F)(F)F |w:3.3| Show InChI InChI=1S/C11H12F3N3S/c1-2-9(16-17-10(15)18)7-4-3-5-8(6-7)11(12,13)14/h3-6H,2H2,1H3,(H3,15,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114644 ((1E)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-one...) Show SMILES CC(=NNC(N)=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:2.2| Show InChI InChI=1S/C11H9F6N3S/c1-5(19-20-9(18)21)6-2-7(10(12,13)14)4-8(3-6)11(15,16)17/h2-4H,1H3,(H3,18,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114660 (3-(3,4-Dichloro-phenyl)-4,5-dihydro-pyrazole-1-car...) Show SMILES NC(=S)N1CCC(=N1)c1ccc(Cl)c(Cl)c1 |c:6| Show InChI InChI=1S/C10H9Cl2N3S/c11-7-2-1-6(5-8(7)12)9-3-4-15(14-9)10(13)16/h1-2,5H,3-4H2,(H2,13,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114612 (3-(3,4-Dichloro-phenyl)-4-methyl-4,5-dihydro-pyraz...) Show SMILES CC1CN(N=C1c1ccc(Cl)c(Cl)c1)C(N)=S |c:4| Show InChI InChI=1S/C11H11Cl2N3S/c1-6-5-16(11(14)17)15-10(6)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114602 (3-(3-Bromo-phenyl)-4-methyl-4,5-dihydro-pyrazole-1...) Show SMILES CC1CN(N=C1c1cccc(Br)c1)C(N)=S |c:4| Show InChI InChI=1S/C11H12BrN3S/c1-7-6-15(11(13)16)14-10(7)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H2,13,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114601 (3-(3-Trifluoromethyl-phenyl)-4,5-dihydro-pyrazole-...) Show SMILES NC(=S)N1CCC(=N1)c1cccc(c1)C(F)(F)F |c:6| Show InChI InChI=1S/C11H10F3N3S/c12-11(13,14)8-3-1-2-7(6-8)9-4-5-17(16-9)10(15)18/h1-3,6H,4-5H2,(H2,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					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	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114662 (5-(3-chlorophenyl)-2-furaldehyde thiosemicarbazone...) Show SMILES NC(=S)NN=Cc1ccc(o1)-c1cccc(Cl)c1 |w:4.3| Show InChI InChI=1S/C12H10ClN3OS/c13-9-3-1-2-8(6-9)11-5-4-10(17-11)7-15-16-12(14)18/h1-7H,(H3,14,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114649 ((1E)-1-[3-(trifluoromethyl)phenyl]ethan-1-one thio...) Show SMILES CC(=NNC(N)=S)c1cccc(c1)C(F)(F)F |w:2.2| Show InChI InChI=1S/C10H10F3N3S/c1-6(15-16-9(14)17)7-3-2-4-8(5-7)10(11,12)13/h2-5H,1H3,(H3,14,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114650 (3-(3-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbot...) Show SMILES NC(=S)N1CCC(=N1)c1cccc(Br)c1 |c:6| Show InChI InChI=1S/C10H10BrN3S/c11-8-3-1-2-7(6-8)9-4-5-14(13-9)10(12)15/h1-3,6H,4-5H2,(H2,12,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114651 ((1E)-1-(3-bromophenyl)ethan-1-one thiosemicarbazon...) Show SMILES CC(=NNC(N)=S)c1cccc(Br)c1 |w:2.2| Show InChI InChI=1S/C9H10BrN3S/c1-6(12-13-9(11)14)7-3-2-4-8(10)5-7/h2-5H,1H3,(H3,11,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421530 (CHEMBL39253) Show SMILES COc1ccc2cc(O)c(cc2c1)C(=O)N\N=C\c1ccc(s1)-c1cc(nn1C)C(F)(F)F Show InChI InChI=1S/C22H17F3N4O3S/c1-29-17(10-20(28-29)22(23,24)25)19-6-5-15(33-19)11-26-27-21(31)16-8-13-7-14(32-2)4-3-12(13)9-18(16)30/h3-11,30H,1-2H3,(H,27,31)/b26-11+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114622 ((1E)-1-(3-chlorophenyl)propan-1-one thiosemicarbaz...) Show SMILES CCC(=NNC(N)=S)c1cccc(Cl)c1 |w:3.3| Show InChI InChI=1S/C10H12ClN3S/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 Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114628 (3-(3-Chloro-phenyl)-4-methyl-4,5-dihydro-pyrazole-...) Show SMILES CC1CN(N=C1c1cccc(Cl)c1)C(N)=S |c:4| Show InChI InChI=1S/C11H12ClN3S/c1-7-6-15(11(13)16)14-10(7)8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H2,13,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114615 (3-(3-Chloro-phenyl)-4,5-dihydro-pyrazole-1-carboth...) Show SMILES NC(=S)N1CCC(=N1)c1cccc(Cl)c1 |c:6| Show InChI InChI=1S/C10H10ClN3S/c11-8-3-1-2-7(6-8)9-4-5-14(13-9)10(12)15/h1-3,6H,4-5H2,(H2,12,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114658 (5-(2-methoxyphenyl)-2-furaldehyde thiosemicarbazon...) Show SMILES COc1ccccc1-c1ccc(C=NNC(N)=S)o1 |w:13.14| Show InChI InChI=1S/C13H13N3O2S/c1-17-11-5-3-2-4-10(11)12-7-6-9(18-12)8-15-16-13(14)19/h2-8H,1H3,(H3,14,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114599 (5-(4-bromophenyl)-2-furaldehyde thiosemicarbazone ...) Show SMILES NC(=S)NN=Cc1ccc(o1)-c1ccc(Br)cc1 |w:4.3| Show InChI InChI=1S/C12H10BrN3OS/c13-9-3-1-8(2-4-9)11-6-5-10(17-11)7-15-16-12(14)18/h1-7H,(H3,14,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114666 (5-(4-chlorophenyl)-2-furaldehyde thiosemicarbazone...) Show SMILES NC(=S)NN=Cc1ccc(o1)-c1ccc(Cl)cc1 |w:4.3| Show InChI InChI=1S/C12H10ClN3OS/c13-9-3-1-8(2-4-9)11-6-5-10(17-11)7-15-16-12(14)18/h1-7H,(H3,14,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114626 (3,5-bis(trifluoromethyl)benzaldehyde thiosemicarba...) Show SMILES NC(=S)NN=Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:4.3| Show InChI InChI=1S/C10H7F6N3S/c11-9(12,13)6-1-5(4-18-19-8(17)20)2-7(3-6)10(14,15)16/h1-4H,(H3,17,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114648 (3,4-dichlorobenzaldehyde thiosemicarbazone | CHEMB...) Show SMILES NC(=S)NN=Cc1ccc(Cl)c(Cl)c1 |w:5.5| Show InChI InChI=1S/C8H7Cl2N3S/c9-6-2-1-5(3-7(6)10)4-12-13-8(11)14/h1-4H,(H3,11,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114639 (3-(trifluoromethyl)benzaldehyde thiosemicarbazone ...) Show SMILES NC(=S)NN=Cc1cccc(c1)C(F)(F)F |w:4.3| Show InChI InChI=1S/C9H8F3N3S/c10-9(11,12)7-3-1-2-6(4-7)5-14-15-8(13)16/h1-5H,(H3,13,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421526 (CHEMBL39814) Show SMILES CN(C)c1ccc(\C=N\NC(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C20H19N3O/c1-23(2)19-13-12-16(17-10-6-7-11-18(17)19)14-21-22-20(24)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,22,24)/b21-14+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114607 (3,5-dichlorobenzaldehyde thiosemicarbazone | CHEMB...) Show SMILES NC(=S)NN=Cc1cc(Cl)cc(Cl)c1 |w:5.5| Show InChI InChI=1S/C8H7Cl2N3S/c9-6-1-5(2-7(10)3-6)4-12-13-8(11)14/h1-4H,(H3,11,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114597 (2-methoxy-1-naphthaldehyde thiosemicarbazone | CHE...) Show SMILES COc1ccc2ccccc2c1C=NNC(N)=S |w:13.15| Show InChI InChI=1S/C13H13N3OS/c1-17-12-7-6-9-4-2-3-5-10(9)11(12)8-15-16-13(14)18/h2-8H,1H3,(H3,14,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421533 (CHEMBL39161) Show SMILES Oc1cc2ccccc2cc1C(=O)N\N=C\c1ccc(o1)-c1ccccc1Cl Show InChI InChI=1S/C22H15ClN2O3/c23-19-8-4-3-7-17(19)21-10-9-16(28-21)13-24-25-22(27)18-11-14-5-1-2-6-15(14)12-20(18)26/h1-13,26H,(H,25,27)/b24-13+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	603	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114641 (3-(3-Bromo-phenyl)-4,5-dihydro-pyrazole-1-carbothi...) Show SMILES Clc1cccc(NC(=S)N2CCC(=N2)c2cccc(Br)c2)c1 |c:12| Show InChI InChI=1S/C16H13BrClN3S/c17-12-4-1-3-11(9-12)15-7-8-21(20-15)16(22)19-14-6-2-5-13(18)10-14/h1-6,9-10H,7-8H2,(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114665 (2-(trifluoromethyl)benzaldehyde thiosemicarbazone ...) Show SMILES NC(=S)NN=Cc1cccc(Br)c1 |w:5.5| Show InChI InChI=1S/C8H8BrN3S/c9-7-3-1-2-6(4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114655 (3-(3-Bromo-phenyl)-4,5-dihydro-pyrazole-1-carbothi...) Show SMILES CCCCCCNC(=S)N1CCC(=N1)c1cccc(Br)c1 |c:12| Show InChI InChI=1S/C16H22BrN3S/c1-2-3-4-5-10-18-16(21)20-11-9-15(19-20)13-7-6-8-14(17)12-13/h6-8,12H,2-5,9-11H2,1H3,(H,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114640 ((1E)-1-(3-bromophenyl)propan-1-one N-[4-(trifluoro...) Show SMILES CCC(=NNC(=S)Nc1ccc(cc1)C(F)(F)F)c1cccc(Br)c1 |w:3.3| Show InChI InChI=1S/C17H15BrF3N3S/c1-2-15(11-4-3-5-13(18)10-11)23-24-16(25)22-14-8-6-12(7-9-14)17(19,20)21/h3-10H,2H2,1H3,(H2,22,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114633 (3-(3-Chloro-phenyl)-4,5-dihydro-pyrazole-1-carboth...) Show SMILES FC(F)(F)c1cccc(NC(=S)N2CCC(=N2)c2cccc(Cl)c2)c1 |c:15| Show InChI InChI=1S/C17H13ClF3N3S/c18-13-5-1-3-11(9-13)15-7-8-24(23-15)16(25)22-14-6-2-4-12(10-14)17(19,20)21/h1-6,9-10H,7-8H2,(H,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114610 ((1E)-1-(5-chlorothien-2-yl)ethan-1-one thiosemicar...) Show SMILES CC(=NNC(N)=S)c1ccc(Cl)s1 |w:2.2| Show InChI InChI=1S/C7H8ClN3S2/c1-4(10-11-7(9)12)5-2-3-6(8)13-5/h2-3H,1H3,(H3,9,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114606 (1-methyl-1H-indole-2-carbaldehyde thiosemicarbazon...) Show SMILES Cn1c(C=NNC(N)=S)cc2ccccc12 |w:4.4| Show InChI InChI=1S/C11H12N4S/c1-15-9(7-13-14-11(12)16)6-8-4-2-3-5-10(8)15/h2-7H,1H3,(H3,12,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114638 (1-(phenylsulfonyl)-1H-pyrrole-2-carbaldehyde thios...) Show SMILES NC(=S)NN=Cc1cccn1S(=O)(=O)c1ccccc1 |w:4.3| Show InChI InChI=1S/C12H12N4O2S2/c13-12(19)15-14-9-10-5-4-8-16(10)20(17,18)11-6-2-1-3-7-11/h1-9H,(H3,13,15,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114625 ((1E)-1-(5-bromothien-2-yl)ethan-1-one thiosemicarb...) Show SMILES CC(=NNC(N)=S)c1ccc(Br)s1 |w:2.2| Show InChI InChI=1S/C7H8BrN3S2/c1-4(10-11-7(9)12)5-2-3-6(8)13-5/h2-3H,1H3,(H3,9,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114652 ((1E)-1-(2-bromophenyl)ethan-1-one thiosemicarbazon...) Show SMILES CC(=NNC(N)=S)c1ccccc1Br |w:2.2| Show InChI InChI=1S/C9H10BrN3S/c1-6(12-13-9(11)14)7-4-2-3-5-8(7)10/h2-5H,1H3,(H3,11,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421528 (CHEMBL416237) Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cccc(c2)[N+]([O-])=O)o1 Show InChI InChI=1S/C12H8N4O6/c17-12(8-2-1-3-9(6-8)15(18)19)14-13-7-10-4-5-11(22-10)16(20)21/h1-7H,(H,14,17)/b13-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421524 (CHEMBL289374) Show SMILES CN(C)c1ccc(\C=N\NC(=O)c2ccnc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H20N4O/c1-27(2)22-12-11-16(17-7-3-4-9-19(17)22)15-25-26-23(28)20-13-14-24-21-10-6-5-8-18(20)21/h3-15H,1-2H3,(H,26,28)/b25-15+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421522 (CHEMBL38981) Show SMILES Oc1cc2ccccc2cc1C(=O)N[N-][CH+]c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C16H11N3O5/c20-14-8-11-4-2-1-3-10(11)7-13(14)16(21)18-17-9-12-5-6-15(24-12)19(22)23/h1-9H,(H2,18,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421531 (CHEMBL39255) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc([CH+][N-]NC(=O)c2ccc3ccccc3c2)o1 Show InChI InChI=1S/C22H15N3O4/c26-22(18-9-8-15-4-1-2-5-16(15)12-18)24-23-14-20-10-11-21(29-20)17-6-3-7-19(13-17)25(27)28/h1-14H,(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114637 (5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]th...) Show SMILES Cn1nc(cc1C(F)(F)F)-c1ccc(C=NNC(N)=S)s1 |w:15.16| Show InChI InChI=1S/C11H10F3N5S2/c1-19-9(11(12,13)14)4-7(18-19)8-3-2-6(21-8)5-16-17-10(15)20/h2-5H,1H3,(H3,15,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114656 ((1E)-1-[3-(trifluoromethyl)phenyl]ethan-1-one semi...) Show SMILES CC(=NNC(N)=O)c1cccc(c1)C(F)(F)F |w:2.2| Show InChI InChI=1S/C10H10F3N3O/c1-6(15-16-9(14)17)7-3-2-4-8(5-7)10(11,12)13/h2-5H,1H3,(H3,14,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50114640 ((1E)-1-(3-bromophenyl)propan-1-one N-[4-(trifluoro...) Show SMILES CCC(=NNC(=S)Nc1ccc(cc1)C(F)(F)F)c1cccc(Br)c1 |w:3.3| Show InChI InChI=1S/C17H15BrF3N3S/c1-2-15(11-4-3-5-13(18)10-11)23-24-16(25)22-14-8-6-12(7-9-14)17(19,20)21/h3-10H,2H2,1H3,(H2,22,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein				J Med Chem 45: 2695-707 (2002) BindingDB Entry DOI: 10.7270/Q2ZP45FM
					More data for this Ligand-Target Pair

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