Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'siles' and Initial = 'r'   

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
Prothrombin (Homo sapiens (Human))	BDBM50352495 (CHEMBL1824555) Show SMILES Clc1cccc(\C=C\S(=O)(=O)Nc2cccc(OCc3cn(Cc4cc5ccccc5s4)nn3)c2)c1 Show InChI InChI=1S/C26H21ClN4O3S2/c27-21-7-3-5-19(13-21)11-12-36(32,33)29-22-8-4-9-24(15-22)34-18-23-16-31(30-28-23)17-25-14-20-6-1-2-10-26(20)35-25/h1-16,29H,17-18H2/b12-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human thrombin using chromogenic Sar-Pro-Arg p-nitroanilide dihydrochloride as substrate pre-incubated for 10 mins by spectrophotometry				Bioorg Med Chem Lett 21: 5305-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.023 BindingDB Entry DOI: 10.7270/Q23F4Q1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50352496 (CHEMBL1824556) Show SMILES [O-][N+](=O)c1cccc(\C=C\S(=O)(=O)Nc2cccc(OCc3cn(Cc4cc5ccccc5s4)nn3)c2)c1 Show InChI InChI=1S/C26H21N5O5S2/c32-31(33)23-8-3-5-19(13-23)11-12-38(34,35)28-21-7-4-9-24(15-21)36-18-22-16-30(29-27-22)17-25-14-20-6-1-2-10-26(20)37-25/h1-16,28H,17-18H2/b12-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human thrombin using chromogenic Sar-Pro-Arg p-nitroanilide dihydrochloride as substrate pre-incubated for 10 mins by spectrophotometry				Bioorg Med Chem Lett 21: 5305-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.023 BindingDB Entry DOI: 10.7270/Q23F4Q1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50352497 (CHEMBL1824553) Show SMILES Nc1cccc(\C=C\S(=O)(=O)Nc2cccc(OCc3cn(Cc4cc5ccccc5s4)nn3)c2)c1 Show InChI InChI=1S/C26H23N5O3S2/c27-21-7-3-5-19(13-21)11-12-36(32,33)29-22-8-4-9-24(15-22)34-18-23-16-31(30-28-23)17-25-14-20-6-1-2-10-26(20)35-25/h1-16,29H,17-18,27H2/b12-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human thrombin using chromogenic Sar-Pro-Arg p-nitroanilide dihydrochloride as substrate pre-incubated for 10 mins by spectrophotometry				Bioorg Med Chem Lett 21: 5305-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.023 BindingDB Entry DOI: 10.7270/Q23F4Q1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50352498 (CHEMBL1824554) Show SMILES FC(F)(F)c1cccc(\C=C\S(=O)(=O)Nc2cccc(OCc3cn(Cc4cc5ccccc5s4)nn3)c2)c1 Show InChI InChI=1S/C27H21F3N4O3S2/c28-27(29,30)21-7-3-5-19(13-21)11-12-39(35,36)32-22-8-4-9-24(15-22)37-18-23-16-34(33-31-23)17-25-14-20-6-1-2-10-26(20)38-25/h1-16,32H,17-18H2/b12-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human thrombin using chromogenic Sar-Pro-Arg p-nitroanilide dihydrochloride as substrate pre-incubated for 10 mins by spectrophotometry				Bioorg Med Chem Lett 21: 5305-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.023 BindingDB Entry DOI: 10.7270/Q23F4Q1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50352499 (CHEMBL1824551) Show SMILES Fc1cccc(\C=C\S(=O)(=O)Nc2cccc(OCc3cn(Cc4cc5ccccc5s4)nn3)c2)c1 Show InChI InChI=1S/C26H21FN4O3S2/c27-21-7-3-5-19(13-21)11-12-36(32,33)29-22-8-4-9-24(15-22)34-18-23-16-31(30-28-23)17-25-14-20-6-1-2-10-26(20)35-25/h1-16,29H,17-18H2/b12-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human thrombin using chromogenic Sar-Pro-Arg p-nitroanilide dihydrochloride as substrate pre-incubated for 10 mins by spectrophotometry				Bioorg Med Chem Lett 21: 5305-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.023 BindingDB Entry DOI: 10.7270/Q23F4Q1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50352500 (CHEMBL1824550) Show SMILES [O-][N+](=O)c1cccc(\C=C\S(=O)(=O)Nc2cccc(OCc3cn(Cc4nc5ccccc5s4)nn3)c2)c1 Show InChI InChI=1S/C25H20N6O5S2/c32-31(33)21-7-3-5-18(13-21)11-12-38(34,35)28-19-6-4-8-22(14-19)36-17-20-15-30(29-27-20)16-25-26-23-9-1-2-10-24(23)37-25/h1-15,28H,16-17H2/b12-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human thrombin using chromogenic Sar-Pro-Arg p-nitroanilide dihydrochloride as substrate pre-incubated for 10 mins by spectrophotometry				Bioorg Med Chem Lett 21: 5305-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.023 BindingDB Entry DOI: 10.7270/Q23F4Q1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50352501 (CHEMBL1824559) Show SMILES Cc1cccc(\C=C\S(=O)(=O)Nc2cccc(c2)-c2nnn(Cc3cccc(Cl)c3)n2)c1 Show InChI InChI=1S/C23H20ClN5O2S/c1-17-5-2-6-18(13-17)11-12-32(30,31)27-22-10-4-8-20(15-22)23-25-28-29(26-23)16-19-7-3-9-21(24)14-19/h2-15,27H,16H2,1H3/b12-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human thrombin using chromogenic Sar-Pro-Arg p-nitroanilide dihydrochloride as substrate pre-incubated for 10 mins by spectrophotometry				Bioorg Med Chem Lett 21: 5305-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.023 BindingDB Entry DOI: 10.7270/Q23F4Q1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50352502 (CHEMBL1824549) Show SMILES Clc1cccc(\C=C\S(=O)(=O)Nc2cccc(OCc3cn(Cc4nc5ccccc5s4)nn3)c2)c1 Show InChI InChI=1S/C25H20ClN5O3S2/c26-19-6-3-5-18(13-19)11-12-36(32,33)29-20-7-4-8-22(14-20)34-17-21-15-31(30-28-21)16-25-27-23-9-1-2-10-24(23)35-25/h1-15,29H,16-17H2/b12-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human thrombin using chromogenic Sar-Pro-Arg p-nitroanilide dihydrochloride as substrate pre-incubated for 10 mins by spectrophotometry				Bioorg Med Chem Lett 21: 5305-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.023 BindingDB Entry DOI: 10.7270/Q23F4Q1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50352503 (CHEMBL1824552) Show SMILES [O-][N+](=O)c1cccc(\C=C\S(=O)(=O)Nc2cccc(OCc3cn(Cc4cc5ccccc5[nH]4)nn3)c2)c1 Show InChI InChI=1S/C26H22N6O5S/c33-32(34)24-8-3-5-19(13-24)11-12-38(35,36)29-21-7-4-9-25(15-21)37-18-23-17-31(30-28-23)16-22-14-20-6-1-2-10-26(20)27-22/h1-15,17,27,29H,16,18H2/b12-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human thrombin using chromogenic Sar-Pro-Arg p-nitroanilide dihydrochloride as substrate pre-incubated for 10 mins by spectrophotometry				Bioorg Med Chem Lett 21: 5305-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.023 BindingDB Entry DOI: 10.7270/Q23F4Q1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50352504 (CHEMBL1824546) Show SMILES Clc1cccc(\C=C\S(=O)(=O)Nc2cccc(OCc3cn(Cc4ccccc4)nn3)c2)c1 Show InChI InChI=1S/C24H21ClN4O3S/c25-21-9-4-8-19(14-21)12-13-33(30,31)27-22-10-5-11-24(15-22)32-18-23-17-29(28-26-23)16-20-6-2-1-3-7-20/h1-15,17,27H,16,18H2/b13-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human thrombin using chromogenic Sar-Pro-Arg p-nitroanilide dihydrochloride as substrate pre-incubated for 10 mins by spectrophotometry				Bioorg Med Chem Lett 21: 5305-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.023 BindingDB Entry DOI: 10.7270/Q23F4Q1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50352505 (CHEMBL1824544) Show SMILES Clc1cccc(Cn2cc(COc3cccc(NS(=O)(=O)\C=C\c4cccc(Cl)c4)c3)nn2)c1 Show InChI InChI=1S/C24H20Cl2N4O3S/c25-20-6-1-4-18(12-20)10-11-34(31,32)28-22-8-3-9-24(14-22)33-17-23-16-30(29-27-23)15-19-5-2-7-21(26)13-19/h1-14,16,28H,15,17H2/b11-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human thrombin using chromogenic Sar-Pro-Arg p-nitroanilide dihydrochloride as substrate pre-incubated for 10 mins by spectrophotometry				Bioorg Med Chem Lett 21: 5305-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.023 BindingDB Entry DOI: 10.7270/Q23F4Q1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50352506 (CHEMBL1824558) Show SMILES Clc1cccc(\C=C\S(=O)(=O)Nc2cccc(OCc3cn(Cc4cccnc4)nn3)c2)c1 Show InChI InChI=1S/C23H20ClN5O3S/c24-20-6-1-4-18(12-20)9-11-33(30,31)27-21-7-2-8-23(13-21)32-17-22-16-29(28-26-22)15-19-5-3-10-25-14-19/h1-14,16,27H,15,17H2/b11-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human thrombin using chromogenic Sar-Pro-Arg p-nitroanilide dihydrochloride as substrate pre-incubated for 10 mins by spectrophotometry				Bioorg Med Chem Lett 21: 5305-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.023 BindingDB Entry DOI: 10.7270/Q23F4Q1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50352507 (CHEMBL1824542) Show SMILES [O-][N+](=O)c1cccc(\C=C\S(=O)(=O)Nc2cccc(OCc3cn(Cc4cccnc4)nn3)c2)c1 Show InChI InChI=1S/C23H20N6O5S/c30-29(31)22-7-1-4-18(12-22)9-11-35(32,33)26-20-6-2-8-23(13-20)34-17-21-16-28(27-25-21)15-19-5-3-10-24-14-19/h1-14,16,26H,15,17H2/b11-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human thrombin using chromogenic Sar-Pro-Arg p-nitroanilide dihydrochloride as substrate pre-incubated for 10 mins by spectrophotometry				Bioorg Med Chem Lett 21: 5305-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.023 BindingDB Entry DOI: 10.7270/Q23F4Q1P
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189273 (1-(7-bromo-3,4-dihydronaphthalen-1(2H)-ylidene)thi...) Show SMILES NC(=S)NN=C1CCCc2ccc(Br)cc12 |w:4.3| Show InChI InChI=1S/C11H12BrN3S/c12-8-5-4-7-2-1-3-10(9(7)6-8)14-15-11(13)16/h4-6H,1-3H2,(H3,13,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189279 (1-(bis(3-bromophenyl)methylene)thiosemicarbazide |...) Show SMILES [#7]-[#6](=S)-[#7]\[#7]=[#6](\c1cccc(Br)c1)-c1cccc(Br)c1 Show InChI InChI=1S/C14H11Br2N3S/c15-11-5-1-3-9(7-11)13(18-19-14(17)20)10-4-2-6-12(16)8-10/h1-8H,(H3,17,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189280 (1-((3-bromophenyl)(phenyl)methylene)thiosemicarbaz...) Show SMILES NC(=S)NN=C(c1ccccc1)c1cccc(Br)c1 |w:4.3| Show InChI InChI=1S/C14H12BrN3S/c15-12-8-4-7-11(9-12)13(17-18-14(16)19)10-5-2-1-3-6-10/h1-9H,(H3,16,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189271 (1-(6-bromo-2,3-dihydrochromen-4-ylidene)thiosemica...) Show SMILES NC(=S)NN=C1CCOc2ccc(Br)cc12 |w:4.3| Show InChI InChI=1S/C10H10BrN3OS/c11-6-1-2-9-7(5-6)8(3-4-15-9)13-14-10(12)16/h1-2,5H,3-4H2,(H3,12,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189278 (6-bromo-2,3-dihydro-4H-thiochromen-4-one thiosemic...) Show SMILES NC(=S)NN=C1CCS(=O)(=O)c2ccc(Br)cc12 |w:4.3| Show InChI InChI=1S/C10H10BrN3O2S2/c11-6-1-2-9-7(5-6)8(13-14-10(12)17)3-4-18(9,15)16/h1-2,5H,3-4H2,(H3,12,14,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189263 (1-(7-bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-...) Show SMILES Brc1ccc2CCC=C(C(=O)C=C)c2c1 |t:7| Show InChI InChI=1S/C13H11BrO/c1-2-13(15)11-5-3-4-9-6-7-10(14)8-12(9)11/h2,5-8H,1,3-4H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189274 (6,8-dibromo-2,3-dihydro-4H-thiochromen-4-one thios...) Show SMILES NC(=S)NN=C1CCS(=O)(=O)c2c(Br)cc(Br)cc12 |w:4.3| Show InChI InChI=1S/C10H9Br2N3O2S2/c11-5-3-6-8(14-15-10(13)18)1-2-19(16,17)9(6)7(12)4-5/h3-4H,1-2H2,(H3,13,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189265 (1-(1-(3-nitrophenyl)propylidene)thiosemicarbazide ...) Show SMILES CCC(=NNC(N)=S)c1cccc(c1)[N+]([O-])=O |w:3.3| Show InChI InChI=1S/C10H12N4O2S/c1-2-9(12-13-10(11)17)7-4-3-5-8(6-7)14(15)16/h3-6H,2H2,1H3,(H3,11,13,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189261 (1-(5-bromo-3,4-dihydronaphthalen-1(2H)-ylidene)thi...) Show SMILES NC(=S)NN=C1CCCc2c(Br)cccc12 |w:4.3| Show InChI InChI=1S/C11H12BrN3S/c12-9-5-1-4-8-7(9)3-2-6-10(8)14-15-11(13)16/h1,4-5H,2-3,6H2,(H3,13,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189272 (1-(3,4-dihydronaphthalen-1-yl)ethanone | CHEMBL378...) Show SMILES CC(=O)C1=CCCc2ccccc12 |t:3| Show InChI InChI=1S/C12H12O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-3,5,7-8H,4,6H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189270 (1-(2,3-dihydrothiochromen-4-ylidene)thiosemicarbaz...) Show SMILES NC(=S)NN=C1CCSc2ccccc12 |w:4.3| Show InChI InChI=1S/C10H11N3S2/c11-10(14)13-12-8-5-6-15-9-4-2-1-3-7(8)9/h1-4H,5-6H2,(H3,11,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189267 (1-(1-(3-aminophenyl)propylidene)thiosemicarbazide ...) Show SMILES CCC(=NNC(N)=S)c1cccc(N)c1 |w:3.3| Show InChI InChI=1S/C10H14N4S/c1-2-9(13-14-10(12)15)7-4-3-5-8(11)6-7/h3-6H,2,11H2,1H3,(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	>3.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189266 (1-(3-(4-bromophenyl)cyclopentylidene)thiosemicarba...) Show SMILES NC(=S)NN=C1CCC(C1)c1ccc(Br)cc1 |w:4.3| Show InChI InChI=1S/C12H14BrN3S/c13-10-4-1-8(2-5-10)9-3-6-11(7-9)15-16-12(14)17/h1-2,4-5,9H,3,6-7H2,(H3,14,16,17)	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
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189269 (1-(3-(4-bromophenyl)cyclohexylidene)thiosemicarbaz...) Show SMILES NC(=S)NN=C1CCCC(C1)c1ccc(Br)cc1 |w:4.3| Show InChI InChI=1S/C13H16BrN3S/c14-11-6-4-9(5-7-11)10-2-1-3-12(8-10)16-17-13(15)18/h4-7,10H,1-3,8H2,(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	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189262 (1-(3,4-dihydrochromen-2-ylidene)thiosemicarbazide ...) Show SMILES NC(=S)NN=C1CCc2ccccc2O1 |w:4.3| Show InChI InChI=1S/C10H11N3OS/c11-10(15)13-12-9-6-5-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H3,11,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189264 (1-(2,3-dihydrochromen-4-ylidene)thiosemicarbazide ...) Show SMILES NC(=S)NN=C1CCOc2ccccc12 |w:4.3| Show InChI InChI=1S/C10H11N3OS/c11-10(15)13-12-8-5-6-14-9-4-2-1-3-7(8)9/h1-4H,5-6H2,(H3,11,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189268 (1-(2,3-dihydroinden-1-ylidene)thiosemicarbazide | ...) Show SMILES NC(=S)NN=C1CCc2ccccc12 |w:4.3| Show InChI InChI=1S/C10H11N3S/c11-10(14)13-12-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2,(H3,11,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189276 (1-(1-(3,4-dihydronaphthalen-1-yl)ethylidene)thiose...) Show SMILES CC(=NNC(N)=S)C1=CCCc2ccccc12 |w:2.2,t:7| Show InChI InChI=1S/C13H15N3S/c1-9(15-16-13(14)17)11-8-4-6-10-5-2-3-7-12(10)11/h2-3,5,7-8H,4,6H2,1H3,(H3,14,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189277 (2,3-dihydro-4H-thiochromen-4-one thiosemicarbazone...) Show SMILES NC(=S)NN=C1CCS(=O)(=O)c2ccccc12 |w:4.3| Show InChI InChI=1S/C10H11N3O2S2/c11-10(16)13-12-8-5-6-17(14,15)9-4-2-1-3-7(8)9/h1-4H,5-6H2,(H3,11,13,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50189275 (1-(1-(3-hydroxyphenyl)propylidene)thiosemicarbazid...) Show SMILES CCC(=NNC(N)=S)c1cccc(O)c1 |w:3.3| Show InChI InChI=1S/C10H13N3OS/c1-2-9(12-13-10(11)15)7-4-3-5-8(14)6-7/h3-6,14H,2H2,1H3,(H3,11,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain				Bioorg Med Chem Lett 16: 4405-9 (2006) Article DOI: 10.1016/j.bmcl.2006.05.041 BindingDB Entry DOI: 10.7270/Q23R0SHC
					More data for this Ligand-Target Pair