Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50015530   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cruzipain (Trypanosoma cruzi)	BDBM50157204 ((1E)-1-(3,4-dichlorophenyl)pentan-1-one thiosemica...) Show SMILES CCCCC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:5.5| Show InChI InChI=1S/C12H15Cl2N3S/c1-2-3-4-11(16-17-12(15)18)8-5-6-9(13)10(14)7-8/h5-7H,2-4H2,1H3,(H3,15,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against cruzain of Trypanosoma cruzi				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50157207 ((1E,2E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-en-1...) Show SMILES NC(=S)NN=C(C=Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3,7.7| Show InChI InChI=1S/C16H13Cl2N3S/c17-13-8-7-12(10-14(13)18)15(20-21-16(19)22)9-6-11-4-2-1-3-5-11/h1-10H,(H3,19,21,22)	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
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against cruzain of Trypanosoma cruzi				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50157206 ((1Z)-1-(3,4-dichlorophenyl)-2-phenoxyethan-1-one t...) Show SMILES NC(=S)NN=C(COc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C15H13Cl2N3OS/c16-12-7-6-10(8-13(12)17)14(19-20-15(18)22)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H3,18,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against cruzain of Trypanosoma cruzi				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50157210 ((E)-(3,4-dichlorophenyl)(2-phenylcyclopropyl)metha...) Show SMILES NC(=S)NN=C(C1CC1c1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C17H15Cl2N3S/c18-14-7-6-11(8-15(14)19)16(21-22-17(20)23)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H3,20,22,23)	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
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against cruzain of Trypanosoma cruzi				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					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	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against cruzain of Trypanosoma cruzi				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50157211 ((E)-(3,4-dichlorophenyl)(4-methylphenyl)methanone ...) Show SMILES Cc1ccc(cc1)C(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:8.9| Show InChI InChI=1S/C15H13Cl2N3S/c1-9-2-4-10(5-3-9)14(19-20-15(18)21)11-6-7-12(16)13(17)8-11/h2-8H,1H3,(H3,18,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against rhodesain of Trypanosoma brucei rhodesience				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50157207 ((1E,2E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-en-1...) Show SMILES NC(=S)NN=C(C=Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3,7.7| Show InChI InChI=1S/C16H13Cl2N3S/c17-13-8-7-12(10-14(13)18)15(20-21-16(19)22)9-6-11-4-2-1-3-5-11/h1-10H,(H3,19,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against rhodesain of Trypanosoma brucei rhodesience				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50157211 ((E)-(3,4-dichlorophenyl)(4-methylphenyl)methanone ...) Show SMILES Cc1ccc(cc1)C(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:8.9| Show InChI InChI=1S/C15H13Cl2N3S/c1-9-2-4-10(5-3-9)14(19-20-15(18)21)11-6-7-12(16)13(17)8-11/h2-8H,1H3,(H3,18,20,21)	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
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against cruzain of Trypanosoma cruzi				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50157209 ((1E)-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one t...) Show SMILES NC(=S)NN=C(CCc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C16H15Cl2N3S/c17-13-8-7-12(10-14(13)18)15(20-21-16(19)22)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H3,19,21,22)	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
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against cruzain of Trypanosoma cruzi				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50157204 ((1E)-1-(3,4-dichlorophenyl)pentan-1-one thiosemica...) Show SMILES CCCCC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:5.5| Show InChI InChI=1S/C12H15Cl2N3S/c1-2-3-4-11(16-17-12(15)18)8-5-6-9(13)10(14)7-8/h5-7H,2-4H2,1H3,(H3,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	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 Inhibitory concentration against rhodesain of Trypanosoma brucei rhodesience				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50157210 ((E)-(3,4-dichlorophenyl)(2-phenylcyclopropyl)metha...) Show SMILES NC(=S)NN=C(C1CC1c1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C17H15Cl2N3S/c18-14-7-6-11(8-15(14)19)16(21-22-17(20)23)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H3,20,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	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 Inhibitory concentration against rhodesain of Trypanosoma brucei rhodesience				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50157206 ((1Z)-1-(3,4-dichlorophenyl)-2-phenoxyethan-1-one t...) Show SMILES NC(=S)NN=C(COc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C15H13Cl2N3OS/c16-12-7-6-10(8-13(12)17)14(19-20-15(18)22)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H3,18,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article 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 concentration against rhodesain of Trypanosoma brucei rhodesience				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50157205 ((1E)-1-(3,4-dichlorophenyl)-2-phenylethan-1-one th...) Show SMILES NC(=S)NN=C(Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C15H13Cl2N3S/c16-12-7-6-11(9-13(12)17)14(19-20-15(18)21)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H3,18,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 concentration against rhodesain of Trypanosoma brucei rhodesience				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50157205 ((1E)-1-(3,4-dichlorophenyl)-2-phenylethan-1-one th...) Show SMILES NC(=S)NN=C(Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C15H13Cl2N3S/c16-12-7-6-11(9-13(12)17)14(19-20-15(18)21)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H3,18,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 concentration against cruzain of Trypanosoma cruzi				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50157209 ((1E)-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one t...) Show SMILES NC(=S)NN=C(CCc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C16H15Cl2N3S/c17-13-8-7-12(10-14(13)18)15(20-21-16(19)22)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H3,19,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Inhibitory concentration against rhodesain of Trypanosoma brucei rhodesience				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	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/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against rhodesain of Trypanosoma brucei rhodesience				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	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/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article 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 concentration against rhodesain of Trypanosoma brucei rhodesience				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					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	310	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against cruzain of Trypanosoma cruzi				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50157206 ((1Z)-1-(3,4-dichlorophenyl)-2-phenoxyethan-1-one t...) Show SMILES NC(=S)NN=C(COc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C15H13Cl2N3OS/c16-12-7-6-10(8-13(12)17)14(19-20-15(18)22)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H3,18,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against falcipain-2 of Plasmodium falciparum W2				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50157207 ((1E,2E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-en-1...) Show SMILES NC(=S)NN=C(C=Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3,7.7| Show InChI InChI=1S/C16H13Cl2N3S/c17-13-8-7-12(10-14(13)18)15(20-21-16(19)22)9-6-11-4-2-1-3-5-11/h1-10H,(H3,19,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against falcipain-2 of Plasmodium falciparum W2				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50157204 ((1E)-1-(3,4-dichlorophenyl)pentan-1-one thiosemica...) Show SMILES CCCCC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:5.5| Show InChI InChI=1S/C12H15Cl2N3S/c1-2-3-4-11(16-17-12(15)18)8-5-6-9(13)10(14)7-8/h5-7H,2-4H2,1H3,(H3,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against falcipain-2 of Plasmodium falciparum W2				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50157210 ((E)-(3,4-dichlorophenyl)(2-phenylcyclopropyl)metha...) Show SMILES NC(=S)NN=C(C1CC1c1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C17H15Cl2N3S/c18-14-7-6-11(8-15(14)19)16(21-22-17(20)23)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H3,20,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against falcipain-2 of Plasmodium falciparum W2				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50157208 ((E)-cyclohexyl(3,4-dichlorophenyl)methanone thiose...) Show SMILES NC(=S)NN=C(C1CCCCC1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C14H17Cl2N3S/c15-11-7-6-10(8-12(11)16)13(18-19-14(17)20)9-4-2-1-3-5-9/h6-9H,1-5H2,(H3,17,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibitory concentration against rhodesain of Trypanosoma brucei rhodesience				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50157211 ((E)-(3,4-dichlorophenyl)(4-methylphenyl)methanone ...) Show SMILES Cc1ccc(cc1)C(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:8.9| Show InChI InChI=1S/C15H13Cl2N3S/c1-9-2-4-10(5-3-9)14(19-20-15(18)21)11-6-7-12(16)13(17)8-11/h2-8H,1H3,(H3,18,20,21)	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 Inhibitory concentration against falcipain-2 of Plasmodium falciparum W2				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50157209 ((1E)-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one t...) Show SMILES NC(=S)NN=C(CCc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C16H15Cl2N3S/c17-13-8-7-12(10-14(13)18)15(20-21-16(19)22)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H3,19,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against falcipain-2 of Plasmodium falciparum W2				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50157208 ((E)-cyclohexyl(3,4-dichlorophenyl)methanone thiose...) Show SMILES NC(=S)NN=C(C1CCCCC1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C14H17Cl2N3S/c15-11-7-6-10(8-12(11)16)13(18-19-14(17)20)9-4-2-1-3-5-9/h6-9H,1-5H2,(H3,17,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against cruzain of Trypanosoma cruzi				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50157203 ((1E)-1-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-o...) Show SMILES CC(C)(C)C(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:5.5| Show InChI InChI=1S/C12H15Cl2N3S/c1-12(2,3)10(16-17-11(15)18)7-4-5-8(13)9(14)6-7/h4-6H,1-3H3,(H3,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against rhodesain of Trypanosoma brucei rhodesience				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50157205 ((1E)-1-(3,4-dichlorophenyl)-2-phenylethan-1-one th...) Show SMILES NC(=S)NN=C(Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C15H13Cl2N3S/c16-12-7-6-11(9-13(12)17)14(19-20-15(18)21)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H3,18,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against falcipain-2 of Plasmodium falciparum W2				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50157203 ((1E)-1-(3,4-dichlorophenyl)-2,2-dimethylpropan-1-o...) Show SMILES CC(C)(C)C(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:5.5| Show InChI InChI=1S/C12H15Cl2N3S/c1-12(2,3)10(16-17-11(15)18)7-4-5-8(13)9(14)6-7/h4-6H,1-3H3,(H3,15,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 concentration against cruzain of Trypanosoma cruzi				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50157208 ((E)-cyclohexyl(3,4-dichlorophenyl)methanone thiose...) Show SMILES NC(=S)NN=C(C1CCCCC1)c1ccc(Cl)c(Cl)c1 |w:4.3| Show InChI InChI=1S/C14H17Cl2N3S/c15-11-7-6-10(8-12(11)16)13(18-19-14(17)20)9-4-2-1-3-5-9/h6-9H,1-5H2,(H3,17,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibitory concentration against falcipain-2 of Plasmodium falciparum W2				Bioorg Med Chem Lett 15: 121-3 (2004) Article DOI: 10.1016/j.bmcl.2004.10.023 BindingDB Entry DOI: 10.7270/Q2BV7G4K
					More data for this Ligand-Target Pair