Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'angelo' and Initial = 'ic'   

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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50128352 (CHEMBL3629184) Show SMILES BrC1=NOC2CN(CC12)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C |r,t:1| Show InChI InChI=1S/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14?,15-,16?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50128350 (CHEMBL3629186) Show SMILES [H][C@@]12CN(C[C@]1([H])C(Br)=NO2)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C |r,c:9| Show InChI InChI=1S/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14-,15-,16+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50128351 (CHEMBL3629185) Show SMILES [H][C@]12CN(C[C@@]1([H])C(Br)=NO2)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C |r,c:9| Show InChI InChI=1S/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14-,15+,16+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50128345 (CHEMBL3629346) Show SMILES [H][C@@]12CN(C[C@]1([H])C(Br)=NO2)C(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccc(cc1)[N+]([O-])=O |r,c:9| Show InChI InChI=1S/C23H23BrN4O6/c24-21-18-12-27(13-20(18)34-26-21)22(29)19(11-8-15-4-2-1-3-5-15)25-23(30)33-14-16-6-9-17(10-7-16)28(31)32/h1-7,9-10,18-20H,8,11-14H2,(H,25,30)/t18-,19-,20+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50128349 (CHEMBL3629339) Show SMILES CC(C)C[C@H](NC(=O)OCC=C)C(=O)N1CC2ON=C(Br)C2C1 |r,t:18| Show InChI InChI=1S/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10?,11-,12?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50128354 (CHEMBL3629181) Show SMILES BrC1=NOC2CN(CC12)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r,t:1| Show InChI InChI=1S/C22H22BrN3O4/c23-20-17-12-26(13-19(17)30-25-20)21(27)18(11-15-7-3-1-4-8-15)24-22(28)29-14-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H,24,28)/t17?,18-,19?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50128347 (CHEMBL3629341) Show SMILES [H][C@@]12CN(C[C@]1([H])C(Br)=NO2)C(=O)[C@H](CC(C)C)NC(=O)OCC=C |r,c:9| Show InChI InChI=1S/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10-,11-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50128348 (CHEMBL3629340) Show SMILES [H][C@]12CN(C[C@@]1([H])C(Br)=NO2)C(=O)[C@H](CC(C)C)NC(=O)OCC=C |r,c:9| Show InChI InChI=1S/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10-,11+,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50128346 (CHEMBL3629344) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2ON=C(Br)C2C1 |r,t:19| Show InChI InChI=1S/C16H26BrN3O4/c1-9(2)6-11(18-15(22)23-16(3,4)5)14(21)20-7-10-12(8-20)24-19-13(10)17/h9-12H,6-8H2,1-5H3,(H,18,22)/t10?,11-,12?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50128355 (CHEMBL3629180) Show SMILES [H][C@@]12CN(C[C@]1([H])C(Br)=NO2)C(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C |r,c:9| Show InChI InChI=1S/C18H20BrN3O4/c1-2-8-25-18(24)20-14(9-12-6-4-3-5-7-12)17(23)22-10-13-15(11-22)26-21-16(13)19/h2-7,13-15H,1,8-11H2,(H,20,24)/t13-,14-,15+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50128356 (CHEMBL3629179) Show SMILES [H][C@]12CN(C[C@@]1([H])C(Br)=NO2)C(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C |r,c:9| Show InChI InChI=1S/C18H20BrN3O4/c1-2-8-25-18(24)20-14(9-12-6-4-3-5-7-12)17(23)22-10-13-15(11-22)26-21-16(13)19/h2-7,13-15H,1,8-11H2,(H,20,24)/t13-,14+,15+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50128357 (CHEMBL3629178) Show SMILES BrC1=NOC2CN(CC12)C(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C |r,t:1| Show InChI InChI=1S/C18H20BrN3O4/c1-2-8-25-18(24)20-14(9-12-6-4-3-5-7-12)17(23)22-10-13-15(11-22)26-21-16(13)19/h2-7,13-15H,1,8-11H2,(H,20,24)/t13?,14-,15?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50128353 (CHEMBL3629183) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2ON=C(Br)C2C1 |r,t:23| Show InChI InChI=1S/C19H24BrN3O4/c1-19(2,3)26-18(25)21-14(9-12-7-5-4-6-8-12)17(24)23-10-13-15(11-23)27-22-16(13)20/h4-8,13-15H,9-11H2,1-3H3,(H,21,25)/t13?,14-,15?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...				Bioorg Med Chem 23: 7053-60 (2015) Article DOI: 10.1016/j.bmc.2015.09.029 BindingDB Entry DOI: 10.7270/Q2ZW1NQX
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50436754 (CHEMBL2402103) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(NC(=O)Nc2ccc(Cl)cc2)cs1 Show InChI InChI=1S/C17H11ClF3N3OS/c18-12-5-7-13(8-6-12)22-16(25)24-14-9-26-15(23-14)10-1-3-11(4-2-10)17(19,20)21/h1-9H,(H2,22,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 56: 5637-58 (2014) Article DOI: 10.1021/jm301424d BindingDB Entry DOI: 10.7270/Q24T6KR9
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50436753 (CHEMBL2402107) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C17H14Cl2N2O3S/c1-2-24-16(23)10-3-6-12(7-4-10)20-17(25)21-15(22)11-5-8-13(18)14(19)9-11/h3-9H,2H2,1H3,(H2,20,21,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 56: 5637-58 (2014) Article DOI: 10.1021/jm301424d BindingDB Entry DOI: 10.7270/Q24T6KR9
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50436751 (CHEMBL2402109) Show SMILES O=C(NC(=S)Nc1ncccc1OCc1ccccc1)c1cccn1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H20N4O4S2/c29-23(20-13-8-16-28(20)34(30,31)19-11-5-2-6-12-19)27-24(33)26-22-21(14-7-15-25-22)32-17-18-9-3-1-4-10-18/h1-16H,17H2,(H2,25,26,27,29,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 56: 5637-58 (2014) Article DOI: 10.1021/jm301424d BindingDB Entry DOI: 10.7270/Q24T6KR9
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50436752 (CHEMBL2402102) Show SMILES Cn1nc(cc1-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1)C(F)(F)F Show InChI InChI=1S/C17H12F6N4OS/c1-27-11(8-13(26-27)17(21,22)23)12-5-6-14(29-12)25-15(28)24-10-4-2-3-9(7-10)16(18,19)20/h2-8H,1H3,(H2,24,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 56: 5637-58 (2014) Article DOI: 10.1021/jm301424d BindingDB Entry DOI: 10.7270/Q24T6KR9
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50436750 (CHEMBL2402106) Show SMILES CS(=O)(=O)c1sc(C(=O)NC(=S)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12 Show InChI InChI=1S/C18H13F3N2O4S3/c1-30(25,26)16-13-5-3-2-4-12(13)14(29-16)15(24)23-17(28)22-10-6-8-11(9-7-10)27-18(19,20)21/h2-9H,1H3,(H2,22,23,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 56: 5637-58 (2014) Article DOI: 10.1021/jm301424d BindingDB Entry DOI: 10.7270/Q24T6KR9
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50436752 (CHEMBL2402102) Show SMILES Cn1nc(cc1-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1)C(F)(F)F Show InChI InChI=1S/C17H12F6N4OS/c1-27-11(8-13(26-27)17(21,22)23)12-5-6-14(29-12)25-15(28)24-10-4-2-3-9(7-10)16(18,19)20/h2-8H,1H3,(H2,24,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of papaya papain				J Med Chem 56: 5637-58 (2014) Article DOI: 10.1021/jm301424d BindingDB Entry DOI: 10.7270/Q24T6KR9
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50436753 (CHEMBL2402107) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C17H14Cl2N2O3S/c1-2-24-16(23)10-3-6-12(7-4-10)20-17(25)21-15(22)11-5-8-13(18)14(19)9-11/h3-9H,2H2,1H3,(H2,20,21,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of papaya papain				J Med Chem 56: 5637-58 (2014) Article DOI: 10.1021/jm301424d BindingDB Entry DOI: 10.7270/Q24T6KR9
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50436750 (CHEMBL2402106) Show SMILES CS(=O)(=O)c1sc(C(=O)NC(=S)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12 Show InChI InChI=1S/C18H13F3N2O4S3/c1-30(25,26)16-13-5-3-2-4-12(13)14(29-16)15(24)23-17(28)22-10-6-8-11(9-7-10)27-18(19,20)21/h2-9H,1H3,(H2,22,23,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of papaya papain				J Med Chem 56: 5637-58 (2014) Article DOI: 10.1021/jm301424d BindingDB Entry DOI: 10.7270/Q24T6KR9
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50436754 (CHEMBL2402103) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc(NC(=O)Nc2ccc(Cl)cc2)cs1 Show InChI InChI=1S/C17H11ClF3N3OS/c18-12-5-7-13(8-6-12)22-16(25)24-14-9-26-15(23-14)10-1-3-11(4-2-10)17(19,20)21/h1-9H,(H2,22,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of papaya papain				J Med Chem 56: 5637-58 (2014) Article DOI: 10.1021/jm301424d BindingDB Entry DOI: 10.7270/Q24T6KR9
					More data for this Ligand-Target Pair