Compile Data Set for Download or QSAR

Found 367 hits with Last Name = 'doyle' and Initial = 'p'   

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)	BDBM50229128 (CHEMBL401401 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C36H36N2O6S/c1-26-12-14-28(15-13-26)24-32(38-35(39)29-17-19-33-34(25-29)44-22-21-43-33)36(40)37-30(18-16-27-8-4-2-5-9-27)20-23-45(41,42)31-10-6-3-7-11-31/h2-15,17,19-20,23,25,30,32H,16,18,21-22,24H2,1H3,(H,37,40)(H,38,39)/b23-20+/t30-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229117 (CHEMBL399181 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C35H33F3N2O4S/c1-25-12-14-27(15-13-25)24-32(40-33(41)28-17-19-29(20-18-28)35(36,37)38)34(42)39-30(21-16-26-8-4-2-5-9-26)22-23-45(43,44)31-10-6-3-7-11-31/h2-15,17-20,22-23,30,32H,16,21,24H2,1H3,(H,39,42)(H,40,41)/b23-22+/t30-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229124 (3,5-difluoro-N-((S)-1-oxo-1-((S)-5-phenyl-1-(pheny...) Show SMILES Cc1cccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C34H32F2N2O4S/c1-24-9-8-12-26(19-24)20-32(38-33(39)27-21-28(35)23-29(36)22-27)34(40)37-30(16-15-25-10-4-2-5-11-25)17-18-43(41,42)31-13-6-3-7-14-31/h2-14,17-19,21-23,30,32H,15-16,20H2,1H3,(H,37,40)(H,38,39)/b18-17+/t30-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229118 (CHEMBL254903 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...) Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C36H36N2O6S/c1-26-9-8-12-28(23-26)24-32(38-35(39)29-16-18-33-34(25-29)44-21-20-43-33)36(40)37-30(17-15-27-10-4-2-5-11-27)19-22-45(41,42)31-13-6-3-7-14-31/h2-14,16,18-19,22-23,25,30,32H,15,17,20-21,24H2,1H3,(H,37,40)(H,38,39)/b22-19+/t30-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229127 (CHEMBL399676 | N-((S)-1-oxo-3-phenyl-1-((S)-5-phen...) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C35H34N2O6S/c38-34(28-17-19-32-33(25-28)43-22-21-42-32)37-31(24-27-12-6-2-7-13-27)35(39)36-29(18-16-26-10-4-1-5-11-26)20-23-44(40,41)30-14-8-3-9-15-30/h1-15,17,19-20,23,25,29,31H,16,18,21-22,24H2,(H,36,39)(H,37,38)/b23-20+/t29-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229132 (CHEMBL254066 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...) Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C35H33F3N2O4S/c1-25-9-8-12-27(23-25)24-32(40-33(41)28-16-18-29(19-17-28)35(36,37)38)34(42)39-30(20-15-26-10-4-2-5-11-26)21-22-45(43,44)31-13-6-3-7-14-31/h2-14,16-19,21-23,30,32H,15,20,24H2,1H3,(H,39,42)(H,40,41)/b22-21+/t30-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229123 (CHEMBL254687 | N-((S)-1-oxo-3-phenyl-1-((S)-5-phen...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C34H31F3N2O4S/c35-34(36,37)28-19-17-27(18-20-28)32(40)39-31(24-26-12-6-2-7-13-26)33(41)38-29(21-16-25-10-4-1-5-11-25)22-23-44(42,43)30-14-8-3-9-15-30/h1-15,17-20,22-23,29,31H,16,21,24H2,(H,38,41)(H,39,40)/b23-22+/t29-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306596 (3-(4-((S)-4-methyl-2-(quinolin-6-ylmethylamino)pen...) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(CC(C)C)NCc1ccc2ncccc2c1 |r| Show InChI InChI=1S/C31H35F4N5O2/c1-5-6-9-25(26(41)18-42-30-28(34)22(32)14-23(33)29(30)35)40-17-27(38-39-40)31(4,15-19(2)3)37-16-20-10-11-24-21(13-20)8-7-12-36-24/h7-8,10-14,17,19,25,37H,5-6,9,15-16,18H2,1-4H3/t25?,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306600 (3-(4-((S)-1-cyclopentyl-1-(quinolin-6-ylmethylamin...) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCCC1 |r| Show InChI InChI=1S/C32H35F4N5O2/c1-3-4-11-26(27(42)19-43-31-29(35)23(33)16-24(34)30(31)36)41-18-28(39-40-41)32(2,22-9-5-6-10-22)38-17-20-12-13-25-21(15-20)8-7-14-37-25/h7-8,12-16,18,22,26,38H,3-6,9-11,17,19H2,1-2H3/t26?,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306598 (3-(4-((S)-1-cyclobutyl-1-(quinolin-6-ylmethylamino...) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCC1 |r| Show InChI InChI=1S/C31H33F4N5O2/c1-3-4-10-25(26(41)18-42-30-28(34)22(32)15-23(33)29(30)35)40-17-27(38-39-40)31(2,21-8-5-9-21)37-16-19-11-12-24-20(14-19)7-6-13-36-24/h6-7,11-15,17,21,25,37H,3-5,8-10,16,18H2,1-2H3/t25?,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229135 (CHEMBL253015 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...) Show SMILES FC(F)(F)c1cccc(C[C@H](NC(=O)c2ccccn2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C33H30F3N3O4S/c34-33(35,36)26-13-9-12-25(22-26)23-30(39-31(40)29-16-7-8-20-37-29)32(41)38-27(18-17-24-10-3-1-4-11-24)19-21-44(42,43)28-14-5-2-6-15-28/h1-16,19-22,27,30H,17-18,23H2,(H,38,41)(H,39,40)/b21-19+/t27-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229122 (4-methyl-N-((S)-1-oxo-1-((S)-5-phenyl-1-(phenylsul...) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |w:35.38| Show InChI InChI=1S/C33H37F3N4O4S/c1-39-18-20-40(21-19-39)32(42)38-30(24-26-11-8-12-27(23-26)33(34,35)36)31(41)37-28(16-15-25-9-4-2-5-10-25)17-22-45(43,44)29-13-6-3-7-14-29/h2-14,17,22-23,28,30H,15-16,18-21,24H2,1H3,(H,37,41)(H,38,42)/t28-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303409 (4-amino-6-(diphenylamino)-1,3,5-triazine-2-carboni...) Show SMILES Nc1nc(nc(n1)N(c1ccccc1)c1ccccc1)C#N Show InChI InChI=1S/C16H12N6/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,(H2,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Trypanosoma cruzi cruzain by Lineweaver-Burk plot analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306597 (3-(4-((S)-4-methyl-2-(quinolin-6-ylmethylamino)pen...) Show SMILES CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(CC(C)C)NCc1ccc2ncccc2c1 |r| Show InChI InChI=1S/C29H31F4N5O2/c1-5-23(24(39)16-40-28-26(32)20(30)12-21(31)27(28)33)38-15-25(36-37-38)29(4,13-17(2)3)35-14-18-8-9-22-19(11-18)7-6-10-34-22/h6-12,15,17,23,35H,5,13-14,16H2,1-4H3/t23?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229129 (4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34| Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229133 (CHEMBL399591 | N-((S)-1-oxo-3-phenyl-1-((S)-5-phen...) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)c1ccccn1 Show InChI InChI=1S/C32H31N3O4S/c36-31(29-18-10-11-22-33-29)35-30(24-26-14-6-2-7-15-26)32(37)34-27(20-19-25-12-4-1-5-13-25)21-23-40(38,39)28-16-8-3-9-17-28/h1-18,21-23,27,30H,19-20,24H2,(H,34,37)(H,35,36)/b23-21+/t27-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229125 (CHEMBL442284 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...) Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccccn2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C33H33N3O4S/c1-25-11-10-14-27(23-25)24-31(36-32(37)30-17-8-9-21-34-30)33(38)35-28(19-18-26-12-4-2-5-13-26)20-22-41(39,40)29-15-6-3-7-16-29/h2-17,20-23,28,31H,18-19,24H2,1H3,(H,35,38)(H,36,37)/b22-20+/t28-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306599 (3-(4-((S)-1-cyclobutyl-1-(quinolin-6-ylmethylamino...) Show SMILES CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCC1 |r| Show InChI InChI=1S/C29H29F4N5O2/c1-3-23(24(39)16-40-28-26(32)20(30)13-21(31)27(28)33)38-15-25(36-37-38)29(2,19-7-4-8-19)35-14-17-9-10-22-18(12-17)6-5-11-34-22/h5-6,9-13,15,19,23,35H,3-4,7-8,14,16H2,1-2H3/t23?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229119 (3,5-difluoro-N-((S)-1-oxo-1-((S)-5-phenyl-1-(pheny...) Show SMILES Cc1ccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C34H32F2N2O4S/c1-24-12-14-26(15-13-24)20-32(38-33(39)27-21-28(35)23-29(36)22-27)34(40)37-30(17-16-25-8-4-2-5-9-25)18-19-43(41,42)31-10-6-3-7-11-31/h2-15,18-19,21-23,30,32H,16-17,20H2,1H3,(H,37,40)(H,38,39)/b19-18+/t30-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306592 (3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r| Show InChI InChI=1S/C30H33F4N5O2/c1-5-6-9-24(25(40)17-41-29-27(33)21(31)14-22(32)28(29)34)39-16-26(37-38-39)30(4,18(2)3)36-15-19-10-11-23-20(13-19)8-7-12-35-23/h7-8,10-14,16,18,24,36H,5-6,9,15,17H2,1-4H3/t24?,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306595 (3-(4-((S)-1-cyclopropyl-1-(quinolin-6-ylmethylamin...) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CC1 |r| Show InChI InChI=1S/C30H31F4N5O2/c1-3-4-7-24(25(40)17-41-29-27(33)21(31)14-22(32)28(29)34)39-16-26(37-38-39)30(2,20-9-10-20)36-15-18-8-11-23-19(13-18)6-5-12-35-23/h5-6,8,11-14,16,20,24,36H,3-4,7,9-10,15,17H2,1-2H3/t24?,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229126 (3,5-difluoro-N-((S)-1-oxo-3-phenyl-1-((S)-5-phenyl...) Show SMILES Fc1cc(F)cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H30F2N2O4S/c34-27-21-26(22-28(35)23-27)32(38)37-31(20-25-12-6-2-7-13-25)33(39)36-29(17-16-24-10-4-1-5-11-24)18-19-42(40,41)30-14-8-3-9-15-30/h1-15,18-19,21-23,29,31H,16-17,20H2,(H,36,39)(H,37,38)/b19-18+/t29-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306593 (3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...) Show SMILES CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r| Show InChI InChI=1S/C28H29F4N5O2/c1-5-22(23(38)15-39-27-25(31)19(29)12-20(30)26(27)32)37-14-24(35-36-37)28(4,16(2)3)34-13-17-8-9-21-18(11-17)7-6-10-33-21/h6-12,14,16,22,34H,5,13,15H2,1-4H3/t22?,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306601 (3-(4-((S)-1-cyclohexyl-1-(quinolin-6-ylmethylamino...) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCCCC1 |r| Show InChI InChI=1S/C33H37F4N5O2/c1-3-4-12-27(28(43)20-44-32-30(36)24(34)17-25(35)31(32)37)42-19-29(40-41-42)33(2,23-10-6-5-7-11-23)39-18-21-13-14-26-22(16-21)9-8-15-38-26/h8-9,13-17,19,23,27,39H,3-7,10-12,18,20H2,1-2H3/t27?,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229131 (CHEMBL252413 | N-((S)-1-oxo-1-((S)-5-phenyl-1-(phe...) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccccn2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C33H33N3O4S/c1-25-15-17-27(18-16-25)24-31(36-32(37)30-14-8-9-22-34-30)33(38)35-28(20-19-26-10-4-2-5-11-26)21-23-41(39,40)29-12-6-3-7-13-29/h2-18,21-23,28,31H,19-20,24H2,1H3,(H,35,38)(H,36,37)/b23-21+/t28-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229130 (4-methyl-N-((S)-1-oxo-1-((S)-5-phenyl-1-(phenylsul...) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |w:32.35| Show InChI InChI=1S/C33H40N4O4S/c1-26-10-9-13-28(24-26)25-31(35-33(39)37-21-19-36(2)20-22-37)32(38)34-29(17-16-27-11-5-3-6-12-27)18-23-42(40,41)30-14-7-4-8-15-30/h3-15,18,23-24,29,31H,16-17,19-22,25H2,1-2H3,(H,34,38)(H,35,39)/t29-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229120 (4-methyl-N-((S)-1-oxo-1-((S)-5-phenyl-1-(phenylsul...) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |w:31.34| Show InChI InChI=1S/C31H37N5O4S/c1-35-18-20-36(21-19-35)31(38)34-29(23-26-11-8-17-32-24-26)30(37)33-27(15-14-25-9-4-2-5-10-25)16-22-41(39,40)28-12-6-3-7-13-28/h2-13,16-17,22,24,27,29H,14-15,18-21,23H2,1H3,(H,33,37)(H,34,38)/t27-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Bioorg Med Chem Lett 18: 624-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.070 BindingDB Entry DOI: 10.7270/Q2DN44SC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306594 (3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...) Show SMILES CC(C)[C@](C)(NCc1ccc2ncccc2c1)c1cn(nn1)C(C)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C27H27F4N5O2/c1-15(2)27(4,33-12-17-7-8-21-18(10-17)6-5-9-32-21)23-13-36(35-34-23)16(3)22(37)14-38-26-24(30)19(28)11-20(29)25(26)31/h5-11,13,15-16,33H,12,14H2,1-4H3/t16?,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303420 (6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...) Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N Show InChI InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cruzipain (Trypanosoma cruzi)	BDBM50303422 (6-(3-chlorophenylamino)-9-cyclopentyl-9H-purine-2-...) Show SMILES Clc1cccc(Nc2nc(nc3n(cnc23)C2CCCC2)C#N)c1 Show InChI InChI=1S/C17H15ClN6/c18-11-4-3-5-12(8-11)21-16-15-17(23-14(9-19)22-16)24(10-20-15)13-6-1-2-7-13/h3-5,8,10,13H,1-2,6-7H2,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair				3D Structure (docked)
Cruzipain (Trypanosoma cruzi)	BDBM50303421 (6-(3-Chlorophenylamino)-9-ethyl-9H-purine-2-carbon...) Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C14H11ClN6/c1-2-21-8-17-12-13(19-11(7-16)20-14(12)21)18-10-5-3-4-9(15)6-10/h3-6,8H,2H2,1H3,(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair				3D Structure (docked)
Cruzipain (Trypanosoma cruzi)	BDBM50303419 (4-(2,2-difluoroethylamino)-6-(3,5-difluorophenylam...) Show SMILES FC(F)CNc1nc(Nc2cc(F)cc(F)c2)nc(n1)C#N Show InChI InChI=1S/C12H8F4N6/c13-6-1-7(14)3-8(2-6)19-12-21-10(4-17)20-11(22-12)18-5-9(15)16/h1-3,9H,5H2,(H2,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303434 (4-(cyclopentylamino)-6-(3-nitrophenylamino)-1,3,5-...) Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C15H15N7O2/c16-9-13-19-14(17-10-4-1-2-5-10)21-15(20-13)18-11-6-3-7-12(8-11)22(23)24/h3,6-8,10H,1-2,4-5H2,(H2,17,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303410 (4-(3-chlorophenylamino)-6-(cyclopentylamino)-1,3,5...) Show SMILES Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C15H15ClN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303411 (4-(3-bromophenylamino)-6-(cyclopentylamino)-1,3,5-...) Show SMILES Brc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C15H15BrN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303417 (4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1...) Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C15H14F2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50241203 (CHEMBL414357 | HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGS...) Show SMILES [H][C@](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,146-,147-,148-,149-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of GLP-1-red from human GLP-1R expressed in CHO-K1 cells by fluorescent competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01783 BindingDB Entry DOI: 10.7270/Q2H41W34
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50557258 (CHEMBL4796216) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of GLP-1-red from human GLP-1R expressed in CHO-K1 cells by fluorescent competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01783 BindingDB Entry DOI: 10.7270/Q2H41W34
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50557264 (CHEMBL4751466) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human NPY2R expressed in HEK293 cells assessed as inhibition of adenosine-induced stimulation of cAMP accumulation by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01783 BindingDB Entry DOI: 10.7270/Q2H41W34
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303420 (6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...) Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N Show InChI InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 15 mins				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cruzipain (Trypanosoma cruzi)	BDBM50303435 (4-(cyclopentylamino)-6-(3-fluorophenylamino)-1,3,5...) Show SMILES Fc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C15H15FN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303418 (4-(cyclopentylamino)-6-(3,5-dichlorophenylamino)-1...) Show SMILES Clc1cc(Cl)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C15H14Cl2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50466532 (CHEMBL4281479) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C194H294N54O58/c1-17-99(12)154(243-182(297)143-36-25-73-246(143)187(302)115(196)80-104-37-47-110(252)48-38-104)184(299)227-125(28-18-19-67-195)188(303)247-74-26-34-141(247)180(295)224-122(59-64-149(263)264)158(273)217-102(15)186(301)245-72-24-33-140(245)179(294)213-90-147(260)218-120(58-63-148(261)262)163(278)238-136(88-152(269)270)168(283)216-101(14)157(272)241-139(92-250)189(304)248-75-27-35-142(248)181(296)225-124(61-66-151(267)268)165(280)223-123(60-65-150(265)266)166(281)228-127(77-95(4)5)170(285)236-134(86-145(198)258)175(290)221-116(29-20-68-209-191(200)201)160(275)232-131(82-106-41-51-112(254)52-42-106)173(288)233-130(81-105-39-49-111(253)50-40-105)167(282)215-100(13)156(271)240-138(91-249)178(293)231-126(76-94(2)3)169(284)220-117(30-21-69-210-192(202)203)161(276)235-133(85-109-89-208-93-214-109)174(289)234-132(83-107-43-53-113(255)54-44-107)172(287)229-128(78-96(6)7)171(286)237-135(87-146(199)259)176(291)230-129(79-97(8)9)177(292)242-153(98(10)11)183(298)244-155(103(16)251)185(300)226-119(32-23-71-212-194(206)207)159(274)222-121(57-62-144(197)257)164(279)219-118(31-22-70-211-193(204)205)162(277)239-137(190(305)306)84-108-45-55-114(256)56-46-108/h37-56,89,93-103,115-143,153-155,249-256H,17-36,57-88,90-92,195-196H2,1-16H3,(H2,197,257)(H2,198,258)(H2,199,259)(H,208,214)(H,213,294)(H,215,282)(H,216,283)(H,217,273)(H,218,260)(H,219,279)(H,220,284)(H,221,290)(H,222,274)(H,223,280)(H,224,295)(H,225,296)(H,226,300)(H,227,299)(H,228,281)(H,229,287)(H,230,291)(H,231,293)(H,232,275)(H,233,288)(H,234,289)(H,235,276)(H,236,285)(H,237,286)(H,238,278)(H,239,277)(H,240,271)(H,241,272)(H,242,292)(H,243,297)(H,244,298)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,305,306)(H4,200,201,209)(H4,202,203,210)(H4,204,205,211)(H4,206,207,212)/t99-,100-,101-,102-,103+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,153-,154-,155-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human NPY1R expressed in HEK293 cells assessed as inhibition of adenosine-induced stimulation of cAMP accumulation by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01783 BindingDB Entry DOI: 10.7270/Q2H41W34
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303436 (9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...) Show SMILES FC(F)Cn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N Show InChI InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)21-13-12-14(23-11(4-19)22-13)24(6-20-12)5-10(17)18/h1-3,6,10H,5H2,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 15 mins				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair				3D Structure (docked)
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50197025 (CHEMBL439904 | PYY(3-36)) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C180H279N53O54/c1-17-91(12)141(185)171(282)214-114(27-18-19-61-181)175(286)232-67-25-33-130(232)169(280)211-111(53-58-137(247)248)147(258)204-94(15)174(285)231-66-24-32-129(231)168(279)200-82-135(244)205-109(52-57-136(245)246)152(263)226-126(80-140(253)254)157(268)203-93(14)146(257)228-128(84-235)176(287)233-68-26-34-131(233)170(281)212-113(55-60-139(251)252)154(265)210-112(54-59-138(249)250)155(266)216-117(70-87(4)5)159(270)224-124(78-133(183)242)164(275)208-106(29-21-63-197-178(189)190)150(261)220-121(75-98-39-47-103(239)48-40-98)162(273)221-120(74-97-37-45-102(238)46-38-97)156(267)202-92(13)145(256)227-127(83-234)167(278)219-116(69-86(2)3)158(269)207-107(30-22-64-198-179(191)192)151(262)223-123(77-100-81-195-85-201-100)163(274)222-122(76-99-41-49-104(240)50-42-99)161(272)217-118(71-88(6)7)160(271)225-125(79-134(184)243)165(276)218-119(72-89(8)9)166(277)229-142(90(10)11)172(283)230-143(95(16)236)173(284)213-108(31-23-65-199-180(193)194)148(259)209-110(51-56-132(182)241)153(264)206-105(28-20-62-196-177(187)188)149(260)215-115(144(186)255)73-96-35-43-101(237)44-36-96/h35-50,81,85-95,105-131,141-143,234-240H,17-34,51-80,82-84,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H2,186,255)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,264)(H,207,269)(H,208,275)(H,209,259)(H,210,265)(H,211,280)(H,212,281)(H,213,284)(H,214,282)(H,215,260)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,261)(H,221,273)(H,222,274)(H,223,262)(H,224,270)(H,225,271)(H,226,263)(H,227,256)(H,228,257)(H,229,277)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human NPY2R expressed in HEK293 cells assessed as inhibition of adenosine-induced stimulation of cAMP accumulation by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01783 BindingDB Entry DOI: 10.7270/Q2H41W34
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303421 (6-(3-Chlorophenylamino)-9-ethyl-9H-purine-2-carbon...) Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)C#N Show InChI InChI=1S/C14H11ClN6/c1-2-21-8-17-12-13(19-11(7-16)20-14(12)21)18-10-5-3-4-9(15)6-10/h3-6,8H,2H2,1H3,(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 15 mins				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair				3D Structure (docked)
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50557262 (CHEMBL4759334) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human NPY2R expressed in HEK293 cells assessed as inhibition of adenosine-induced stimulation of cAMP accumulation by FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01783 BindingDB Entry DOI: 10.7270/Q2H41W34
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303437 (9-cyclopentyl-6-(3,5-difluorophenylamino)-9H-purin...) Show SMILES Fc1cc(F)cc(Nc2nc(nc3n(cnc23)C2CCCC2)C#N)c1 Show InChI InChI=1S/C17H14F2N6/c18-10-5-11(19)7-12(6-10)22-16-15-17(24-14(8-20)23-16)25(9-21-15)13-3-1-2-4-13/h5-7,9,13H,1-4H2,(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 15 mins				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair				3D Structure (docked)
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)	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

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