Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'greenbaum' and Initial = 'd'   

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
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339789 ((S)-2-((2S,3R)-3-amino-2-hydroxy-4-(4-methoxypheny...) Show SMILES COc1ccc(C[C@@H](N)[C@H](O)C(=O)N[C@@H](CC(C)C)C(O)=O)cc1 |r| Show InChI InChI=1S/C17H26N2O5/c1-10(2)8-14(17(22)23)19-16(21)15(20)13(18)9-11-4-6-12(24-3)7-5-11/h4-7,10,13-15,20H,8-9,18H2,1-3H3,(H,19,21)(H,22,23)/t13-,14+,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair				3D Structure (crystal)
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM23971 ((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair				3D Structure (crystal)
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339790 ((S)-2-((2S,3R)-3-amino-4-(4-(benzyloxy)phenyl)-2-h...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C23H30N2O5/c1-15(2)12-20(23(28)29)25-22(27)21(26)19(24)13-16-8-10-18(11-9-16)30-14-17-6-4-3-5-7-17/h3-11,15,19-21,26H,12-14,24H2,1-2H3,(H,25,27)(H,28,29)/t19-,20+,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair				3D Structure (crystal)
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339784 ((S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamid...) Show SMILES CCCC[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C16H24N2O4/c1-2-3-9-13(16(21)22)18-15(20)14(19)12(17)10-11-7-5-4-6-8-11/h4-8,12-14,19H,2-3,9-10,17H2,1H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339785 ((S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamid...) Show SMILES N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H31N3O6/c25-19(15-17-9-3-1-4-10-17)21(28)22(29)27-20(23(30)31)13-7-8-14-26-24(32)33-16-18-11-5-2-6-12-18/h1-6,9-12,19-21,28H,7-8,13-16,25H2,(H,26,32)(H,27,29)(H,30,31)/t19-,20+,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339791 ((S)-2-((2S,3R)-3-amino-2-hydroxy-4-(naphthalen-2-y...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccc2ccccc2c1)C(O)=O |r| Show InChI InChI=1S/C20H26N2O4/c1-12(2)9-17(20(25)26)22-19(24)18(23)16(21)11-13-7-8-14-5-3-4-6-15(14)10-13/h3-8,10,12,16-18,23H,9,11,21H2,1-2H3,(H,22,24)(H,25,26)/t16-,17+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339792 ((S)-2-((2S,3R)-3-amino-2-hydroxyheptanamido)-4-met...) Show SMILES CCCC[C@@H](N)[C@H](O)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C13H26N2O4/c1-4-5-6-9(14)11(16)12(17)15-10(13(18)19)7-8(2)3/h8-11,16H,4-7,14H2,1-3H3,(H,15,17)(H,18,19)/t9-,10+,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339788 ((S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamid...) Show SMILES N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C25H26N2O4/c26-21(15-17-7-3-1-4-8-17)23(28)24(29)27-22(25(30)31)16-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14,21-23,28H,15-16,26H2,(H,27,29)(H,30,31)/t21-,22+,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339786 ((S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamid...) Show SMILES N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H28N2O5/c27-22(15-18-7-3-1-4-8-18)24(29)25(30)28-23(26(31)32)16-19-11-13-21(14-12-19)33-17-20-9-5-2-6-10-20/h1-14,22-24,29H,15-17,27H2,(H,28,30)(H,31,32)/t22-,23+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339787 ((S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamid...) Show SMILES N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O |r| Show InChI InChI=1S/C23H24N2O4/c24-19(13-15-6-2-1-3-7-15)21(26)22(27)25-20(23(28)29)14-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19-21,26H,13-14,24H2,(H,25,27)(H,28,29)/t19-,20+,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM36812 (CA-074) Show SMILES CCCNC1OC1C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C17H29N3O5/c1-4-8-18-15-13(25-15)14(21)19-12(10(3)5-2)16(22)20-9-6-7-11(20)17(23)24/h10-13,15,18H,4-9H2,1-3H3,(H,19,21)(H,23,24)/t10?,11-,12+,13?,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	5.5	25
University of California, San Francisco					Assay Description Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...				Chem Biol 7: 27-38 (2000) Article DOI: 10.1016/s1074-5521(00)00061-2 BindingDB Entry DOI: 10.7270/Q24B2ZN5
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	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/TrEMBL B.MOAD 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
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of rhodesain from Trypanosoma brucei rhodesiense				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM36813 (CA-074b) Show SMILES CCC(C)[C@H](NC(=O)C1OC1NCC(C)C)C(=O)N1CCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C18H31N3O5/c1-5-11(4)13(17(23)21-8-6-7-12(21)18(24)25)20-15(22)14-16(26-14)19-9-10(2)3/h10-14,16,19H,5-9H2,1-4H3,(H,20,22)(H,24,25)/t11?,12-,13+,14?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	5.5	25
University of California, San Francisco					Assay Description Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...				Chem Biol 7: 27-38 (2000) Article DOI: 10.1016/s1074-5521(00)00061-2 BindingDB Entry DOI: 10.7270/Q24B2ZN5
					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	Article 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 Inhibition of cruzain from Trypanosoma cruzi				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50148049 ((1E)-1-(1,1'-biphenyl-4-yl)ethan-1-one thiosemicar...) Show SMILES CC(=NNC(N)=S)c1ccc(cc1)-c1ccccc1 |w:2.2| Show InChI InChI=1S/C15H15N3S/c1-11(17-18-15(16)19)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3,(H3,16,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of rhodesain from Trypanosoma brucei rhodesiense				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22097 (6-{[(3,4-dichlorophenyl)methyl]amino}-9-(3-hydroxy...) Show SMILES OCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C16H14Cl2N6O/c17-11-3-2-10(6-12(11)18)8-20-15-14-16(23-13(7-19)22-15)24(9-21-14)4-1-5-25/h2-3,6,9,25H,1,4-5,8H2,(H,20,22,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	25
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50148061 ((1Z)-1-{3-[(1E)-N-(aminocarbonothioyl)ethanehydraz...) Show SMILES CC(=NNC(N)=S)c1cccc(c1)C(C)=NNC(N)=S |w:2.2,15.16| Show InChI InChI=1S/C12H16N6S2/c1-7(15-17-11(13)19)9-4-3-5-10(6-9)8(2)16-18-12(14)20/h3-6H,1-2H3,(H3,13,17,19)(H3,14,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of rhodesain from Trypanosoma brucei rhodesiense				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM36814 (MB-074) Show SMILES CCC(C)[C@H](NC(=O)C1OC1NCCc1ccc(O)cc1)C(=O)N1OCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C21H29N3O7/c1-3-12(2)16(20(27)24-15(21(28)29)9-11-30-24)23-18(26)17-19(31-17)22-10-8-13-4-6-14(25)7-5-13/h4-7,12,15-17,19,22,25H,3,8-11H2,1-2H3,(H,23,26)(H,28,29)/t12?,15-,16+,17?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	5.5	25
University of California, San Francisco					Assay Description Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...				Chem Biol 7: 27-38 (2000) Article DOI: 10.1016/s1074-5521(00)00061-2 BindingDB Entry DOI: 10.7270/Q24B2ZN5
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50148055 ((1E)-1-(3-phenoxyphenyl)ethan-1-one thiosemicarbaz...) Show SMILES CC(=NNC(N)=S)c1cccc(Oc2ccccc2)c1 |w:2.2| Show InChI InChI=1S/C15H15N3OS/c1-11(17-18-15(16)20)12-6-5-9-14(10-12)19-13-7-3-2-4-8-13/h2-10H,1H3,(H3,16,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of rhodesain from Trypanosoma brucei rhodesiense				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22087 (6-{[(4-chlorophenyl)methyl]amino}-9-(3-hydroxyprop...) Show SMILES OCCCn1cnc2c(NCc3ccc(Cl)cc3)nc(nc12)C#N Show InChI InChI=1S/C16H15ClN6O/c17-12-4-2-11(3-5-12)9-19-15-14-16(22-13(8-18)21-15)23(10-20-14)6-1-7-24/h2-5,10,24H,1,6-7,9H2,(H,19,21,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	25
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22100 (6-{[(3,4-dichlorophenyl)methyl]amino}-9-[3-(methox...) Show SMILES COCOCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C18H18Cl2N6O2/c1-27-11-28-6-2-5-26-10-23-16-17(24-15(8-21)25-18(16)26)22-9-12-3-4-13(19)14(20)7-12/h3-4,7,10H,2,5-6,9,11H2,1H3,(H,22,24,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	25
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50148057 ((1E)-1-(3-anilinophenyl)ethan-1-one thiosemicarbaz...) Show SMILES CC(=NNC(N)=S)c1cccc(Nc2ccccc2)c1 |w:2.2| Show InChI InChI=1S/C15H16N4S/c1-11(18-19-15(16)20)12-6-5-9-14(10-12)17-13-7-3-2-4-8-13/h2-10,17H,1H3,(H3,16,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of rhodesain from Trypanosoma brucei rhodesiense				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22099 (6-{[(3,4-dichlorophenyl)methyl]amino}-9-(5-hydroxy...) Show SMILES OCCCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C18H18Cl2N6O/c19-13-5-4-12(8-14(13)20)10-22-17-16-18(25-15(9-21)24-17)26(11-23-16)6-2-1-3-7-27/h4-5,8,11,27H,1-3,6-7,10H2,(H,22,24,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	25
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50148053 ((1E)-1-(1,1'-biphenyl-3-yl)ethan-1-one thiosemicar...) Show SMILES CC(=NNC(N)=S)c1cccc(c1)-c1ccccc1 |w:2.2| Show InChI InChI=1S/C15H15N3S/c1-11(17-18-15(16)19)13-8-5-9-14(10-13)12-6-3-2-4-7-12/h2-10H,1H3,(H3,16,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of rhodesain from Trypanosoma brucei rhodesiense				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22098 (6-{[(3,4-dichlorophenyl)methyl]amino}-9-(2,3-dihyd...) Show SMILES OCC(O)Cn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C16H14Cl2N6O2/c17-11-2-1-9(3-12(11)18)5-20-15-14-16(23-13(4-19)22-15)24(8-21-14)6-10(26)7-25/h1-3,8,10,25-26H,5-7H2,(H,20,22,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	25
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22094 (6-{[(3,4-dichlorophenyl)methyl]amino}-9-(2-hydroxy...) Show SMILES OCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C15H12Cl2N6O/c16-10-2-1-9(5-11(10)17)7-19-14-13-15(22-12(6-18)21-14)23(3-4-24)8-20-13/h1-2,5,8,24H,3-4,7H2,(H,19,21,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	25
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50148060 ((1E)-1-(3-bromophenyl)ethan-1-one N,N-diethylthios...) Show SMILES CCN(CC)C(=S)NN=C(C)c1cccc(Br)c1 |w:8.7| Show InChI InChI=1S/C13H18BrN3S/c1-4-17(5-2)13(18)16-15-10(3)11-7-6-8-12(14)9-11/h6-9H,4-5H2,1-3H3,(H,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of rhodesain from Trypanosoma brucei rhodesiense				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22051 (9-benzyl-6-(cyclohexylamino)-9H-purine-2-carbonitr...) Show SMILES N#Cc1nc(NC2CCCCC2)c2ncn(Cc3ccccc3)c2n1 Show InChI InChI=1S/C19H20N6/c20-11-16-23-18(22-15-9-5-2-6-10-15)17-19(24-16)25(13-21-17)12-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-10,12H2,(H,22,23,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	5.5	22
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22101 (6-{[(3,4-dichlorophenyl)methyl]amino}-9-(3-methoxy...) Show SMILES COCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C17H16Cl2N6O/c1-26-6-2-5-25-10-22-15-16(23-14(8-20)24-17(15)25)21-9-11-3-4-12(18)13(19)7-11/h3-4,7,10H,2,5-6,9H2,1H3,(H,21,23,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	25
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22082 (6-(benzylamino)-9-{[3-(trifluoromethyl)phenyl]meth...) Show SMILES FC(F)(F)c1cccc(Cn2cnc3c(NCc4ccccc4)nc(nc23)C#N)c1 Show InChI InChI=1S/C21H15F3N6/c22-21(23,24)16-8-4-7-15(9-16)12-30-13-27-18-19(28-17(10-25)29-20(18)30)26-11-14-5-2-1-3-6-14/h1-9,13H,11-12H2,(H,26,28,29)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	25
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22063 (9-benzyl-6-{[(3-methylphenyl)methyl]amino}-9H-puri...) Show SMILES Cc1cccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)c1 Show InChI InChI=1S/C21H18N6/c1-15-6-5-9-17(10-15)12-23-20-19-21(26-18(11-22)25-20)27(14-24-19)13-16-7-3-2-4-8-16/h2-10,14H,12-13H2,1H3,(H,23,25,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	5.5	22
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22085 (9-benzyl-6-{[(4-fluorophenyl)methyl]amino}-9H-puri...) Show SMILES Fc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1 Show InChI InChI=1S/C20H15FN6/c21-16-8-6-14(7-9-16)11-23-19-18-20(26-17(10-22)25-19)27(13-24-18)12-15-4-2-1-3-5-15/h1-9,13H,11-12H2,(H,23,25,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	25
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22102 (6-{[(3,4-dichlorophenyl)methyl]amino}-9-(3,3-dimet...) Show SMILES COC(CCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N)OC Show InChI InChI=1S/C18H18Cl2N6O2/c1-27-15(28-2)5-6-26-10-23-16-17(24-14(8-21)25-18(16)26)22-9-11-3-4-12(19)13(20)7-11/h3-4,7,10,15H,5-6,9H2,1-2H3,(H,22,24,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	25
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50148058 (CHEMBL326220 | N'-[(1E)-1-(3-bromophenyl)ethyliden...) Show SMILES CN1CCN(CC1)C(=S)NN=C(C)c1cccc(Br)c1 |w:10.10| Show InChI InChI=1S/C14H19BrN4S/c1-11(12-4-3-5-13(15)10-12)16-17-14(20)19-8-6-18(2)7-9-19/h3-5,10H,6-9H2,1-2H3,(H,17,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of rhodesain from Trypanosoma brucei rhodesiense				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50148052 (CHEMBL108700 | N'-[(1E)-1-(3-bromophenyl)ethyliden...) Show SMILES CC(=NNC(=S)N1CCCCC1)c1cccc(Br)c1 |w:2.2| Show InChI InChI=1S/C14H18BrN3S/c1-11(12-6-5-7-13(15)10-12)16-17-14(19)18-8-3-2-4-9-18/h5-7,10H,2-4,8-9H2,1H3,(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of rhodesain from Trypanosoma brucei rhodesiense				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22095 (9-butyl-6-{[(3,4-dichlorophenyl)methyl]amino}-9H-p...) Show SMILES CCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C17H16Cl2N6/c1-2-3-6-25-10-22-15-16(23-14(8-20)24-17(15)25)21-9-11-4-5-12(18)13(19)7-11/h4-5,7,10H,2-3,6,9H2,1H3,(H,21,23,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	25
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22076 (9-(3-hydroxypropyl)-6-{[(4-methylphenyl)methyl]ami...) Show SMILES Cc1ccc(CNc2nc(nc3n(CCCO)cnc23)C#N)cc1 Show InChI InChI=1S/C17H18N6O/c1-12-3-5-13(6-4-12)10-19-16-15-17(22-14(9-18)21-16)23(11-20-15)7-2-8-24/h3-6,11,24H,2,7-8,10H2,1H3,(H,19,21,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	5.5	22
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22075 (9-benzyl-6-{[(4-methoxyphenyl)methyl]amino}-9H-pur...) Show SMILES COc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1 Show InChI InChI=1S/C21H18N6O/c1-28-17-9-7-15(8-10-17)12-23-20-19-21(26-18(11-22)25-20)27(14-24-19)13-16-5-3-2-4-6-16/h2-10,14H,12-13H2,1H3,(H,23,25,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	5.5	22
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22088 (6-{[(4-chlorophenyl)methyl]amino}-9-(4-hydroxybuty...) Show SMILES OCCCCn1cnc2c(NCc3ccc(Cl)cc3)nc(nc12)C#N Show InChI InChI=1S/C17H17ClN6O/c18-13-5-3-12(4-6-13)10-20-16-15-17(23-14(9-19)22-16)24(11-21-15)7-1-2-8-25/h3-6,11,25H,1-2,7-8,10H2,(H,20,22,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	25
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50148058 (CHEMBL326220 | N'-[(1E)-1-(3-bromophenyl)ethyliden...) Show SMILES CN1CCN(CC1)C(=S)NN=C(C)c1cccc(Br)c1 |w:10.10| Show InChI InChI=1S/C14H19BrN4S/c1-11(12-4-3-5-13(15)10-12)16-17-14(20)19-8-6-18(2)7-9-19/h3-5,10H,6-9H2,1-2H3,(H,17,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of cruzain from Trypanosoma cruzi				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50148061 ((1Z)-1-{3-[(1E)-N-(aminocarbonothioyl)ethanehydraz...) Show SMILES CC(=NNC(N)=S)c1cccc(c1)C(C)=NNC(N)=S |w:2.2,15.16| Show InChI InChI=1S/C12H16N6S2/c1-7(15-17-11(13)19)9-4-3-5-10(6-9)8(2)16-18-12(14)20/h3-6H,1-2H3,(H3,13,17,19)(H3,14,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of cruzain from Trypanosoma cruzi				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22048 (9-benzyl-6-{[(2S)-2-methylbutyl]amino}-9H-purine-2...) Show SMILES CC[C@H](C)CNc1nc(nc2n(Cc3ccccc3)cnc12)C#N |r| Show InChI InChI=1S/C18H20N6/c1-3-13(2)10-20-17-16-18(23-15(9-19)22-17)24(12-21-16)11-14-7-5-4-6-8-14/h4-8,12-13H,3,10-11H2,1-2H3,(H,20,22,23)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	5.5	22
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50148060 ((1E)-1-(3-bromophenyl)ethan-1-one N,N-diethylthios...) Show SMILES CCN(CC)C(=S)NN=C(C)c1cccc(Br)c1 |w:8.7| Show InChI InChI=1S/C13H18BrN3S/c1-4-17(5-2)13(18)16-15-10(3)11-7-6-8-12(14)9-11/h6-9H,4-5H2,1-3H3,(H,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of cruzain from Trypanosoma cruzi				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50148049 ((1E)-1-(1,1'-biphenyl-4-yl)ethan-1-one thiosemicar...) Show SMILES CC(=NNC(N)=S)c1ccc(cc1)-c1ccccc1 |w:2.2| Show InChI InChI=1S/C15H15N3S/c1-11(17-18-15(16)19)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3,(H3,16,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of cruzain from Trypanosoma cruzi				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50148052 (CHEMBL108700 | N'-[(1E)-1-(3-bromophenyl)ethyliden...) Show SMILES CC(=NNC(=S)N1CCCCC1)c1cccc(Br)c1 |w:2.2| Show InChI InChI=1S/C14H18BrN3S/c1-11(12-6-5-7-13(15)10-12)16-17-14(19)18-8-3-2-4-9-18/h5-7,10H,2-4,8-9H2,1H3,(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of cruzain from Trypanosoma cruzi				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22066 (9-benzyl-6-(benzylamino)-9H-purine-2-carbonitrile ...) Show SMILES N#Cc1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1 Show InChI InChI=1S/C20H16N6/c21-11-17-24-19(22-12-15-7-3-1-4-8-15)18-20(25-17)26(14-23-18)13-16-9-5-2-6-10-16/h1-10,14H,12-13H2,(H,22,24,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	5.5	22
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22074 (9-butyl-6-{[(4-methoxyphenyl)methyl]amino}-9H-puri...) Show SMILES CCCCn1cnc2c(NCc3ccc(OC)cc3)nc(nc12)C#N Show InChI InChI=1S/C18H20N6O/c1-3-4-9-24-12-21-16-17(22-15(10-19)23-18(16)24)20-11-13-5-7-14(25-2)8-6-13/h5-8,12H,3-4,9,11H2,1-2H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	5.5	22
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22059 (9-cyclopentyl-6-{[(4-methoxyphenyl)methyl]amino}-9...) Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C2CCCC2)C#N)cc1 Show InChI InChI=1S/C19H20N6O/c1-26-15-8-6-13(7-9-15)11-21-18-17-19(24-16(10-20)23-18)25(12-22-17)14-4-2-3-5-14/h6-9,12,14H,2-5,11H2,1H3,(H,21,23,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	5.5	22
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cathepsin B-like cysteine protease (Trypanosoma brucei)	BDBM22084 (9-butyl-6-{[(4-fluorophenyl)methyl]amino}-9H-purin...) Show SMILES CCCCn1cnc2c(NCc3ccc(F)cc3)nc(nc12)C#N Show InChI InChI=1S/C17H17FN6/c1-2-3-8-24-11-21-15-16(22-14(9-19)23-17(15)24)20-10-12-4-6-13(18)7-5-12/h4-7,11H,2-3,8,10H2,1H3,(H,20,22,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	25
University of California at San Francisco					Assay Description Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the additio...				J Med Chem 51: 545-52 (2008) Article DOI: 10.1021/jm070760l BindingDB Entry DOI: 10.7270/Q2V40SH0
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50148050 ((1E)-1-(4-phenoxyphenyl)ethan-1-one thiosemicarbaz...) Show SMILES CC(=NNC(N)=S)c1ccc(Oc2ccccc2)cc1 |w:2.2| Show InChI InChI=1S/C15H15N3OS/c1-11(17-18-15(16)20)12-7-9-14(10-8-12)19-13-5-3-2-4-6-13/h2-10H,1H3,(H3,16,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase 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
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of rhodesain from Trypanosoma brucei rhodesiense				J Med Chem 47: 3212-9 (2004) Article DOI: 10.1021/jm030549j BindingDB Entry DOI: 10.7270/Q2Z60NHZ
					More data for this Ligand-Target Pair

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