Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'flaherty' and Initial = 'tm'   

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)	BDBM50421530 (CHEMBL39253) Show SMILES COc1ccc2cc(O)c(cc2c1)C(=O)N\N=C\c1ccc(s1)-c1cc(nn1C)C(F)(F)F Show InChI InChI=1S/C22H17F3N4O3S/c1-29-17(10-20(28-29)22(23,24)25)19-6-5-15(33-19)11-26-27-21(31)16-8-13-7-14(32-2)4-3-12(13)9-18(16)30/h3-11,30H,1-2H3,(H,27,31)/b26-11+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421526 (CHEMBL39814) Show SMILES CN(C)c1ccc(\C=N\NC(=O)c2ccccc2)c2ccccc12 Show InChI InChI=1S/C20H19N3O/c1-23(2)19-13-12-16(17-10-6-7-11-18(17)19)14-21-22-20(24)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,22,24)/b21-14+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421533 (CHEMBL39161) Show SMILES Oc1cc2ccccc2cc1C(=O)N\N=C\c1ccc(o1)-c1ccccc1Cl Show InChI InChI=1S/C22H15ClN2O3/c23-19-8-4-3-7-17(19)21-10-9-16(28-21)13-24-25-22(27)18-11-14-5-1-2-6-15(14)12-20(18)26/h1-13,26H,(H,25,27)/b24-13+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	603	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421528 (CHEMBL416237) Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cccc(c2)[N+]([O-])=O)o1 Show InChI InChI=1S/C12H8N4O6/c17-12(8-2-1-3-9(6-8)15(18)19)14-13-7-10-4-5-11(22-10)16(20)21/h1-7H,(H,14,17)/b13-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421522 (CHEMBL38981) Show SMILES Oc1cc2ccccc2cc1C(=O)N[N-][CH+]c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C16H11N3O5/c20-14-8-11-4-2-1-3-10(11)7-13(14)16(21)18-17-9-12-5-6-15(24-12)19(22)23/h1-9H,(H2,18,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421531 (CHEMBL39255) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc([CH+][N-]NC(=O)c2ccc3ccccc3c2)o1 Show InChI InChI=1S/C22H15N3O4/c26-22(18-9-8-15-4-1-2-5-16(15)12-18)24-23-14-20-10-11-21(29-20)17-6-3-7-19(13-17)25(27)28/h1-14H,(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421524 (CHEMBL289374) Show SMILES CN(C)c1ccc(\C=N\NC(=O)c2ccnc3ccccc23)c2ccccc12 Show InChI InChI=1S/C23H20N4O/c1-27(2)22-12-11-16(17-7-3-4-9-19(17)22)15-25-26-23(28)20-13-14-24-21-10-6-5-8-18(20)21/h3-15H,1-2H3,(H,26,28)/b25-15+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421520 (CHEMBL40165) Show SMILES CSc1ccc(\C=N\NC(=O)c2cccc(C)c2O)s1 Show InChI InChI=1S/C14H14N2O2S2/c1-9-4-3-5-11(13(9)17)14(18)16-15-8-10-6-7-12(19-2)20-10/h3-8,17H,1-2H3,(H,16,18)/b15-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421523 (CHEMBL40119) Show SMILES COc1cc(OC)cc(c1)C(=O)N\N=C\c1ccc(o1)C(O)=O Show InChI InChI=1S/C15H14N2O6/c1-21-11-5-9(6-12(7-11)22-2)14(18)17-16-8-10-3-4-13(23-10)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)/b16-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421527 (CHEMBL39723) Show SMILES CN(C)c1ccc(\C=N\NC(=O)c2ccc(O)c(O)c2)c2ccccc12 Show InChI InChI=1S/C20H19N3O3/c1-23(2)17-9-7-14(15-5-3-4-6-16(15)17)12-21-22-20(26)13-8-10-18(24)19(25)11-13/h3-12,24-25H,1-2H3,(H,22,26)/b21-12+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421519 (CHEMBL289164) Show SMILES Oc1ccccc1C(=O)N[N-][CH+]c1ccc(o1)-c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C18H13N3O5/c22-16-8-4-2-6-14(16)18(23)20-19-11-12-9-10-17(26-12)13-5-1-3-7-15(13)21(24)25/h1-11H,(H2,20,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421532 (CHEMBL40503) Show SMILES Brc1csc(\C=N\NC(=O)c2cnc3ccccc3c2)c1 Show InChI InChI=1S/C15H10BrN3OS/c16-12-6-13(21-9-12)8-18-19-15(20)11-5-10-3-1-2-4-14(10)17-7-11/h1-9H,(H,19,20)/b18-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421529 (CHEMBL289764) Show SMILES Oc1ccccc1C(=O)N\N=C\c1ccnc2ccccc12 Show InChI InChI=1S/C17H13N3O2/c21-16-8-4-2-6-14(16)17(22)20-19-11-12-9-10-18-15-7-3-1-5-13(12)15/h1-11,21H,(H,20,22)/b19-11+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50403913 (CHEMBL38462) Show SMILES Oc1ccccc1C(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H13ClN2O3/c19-13-7-5-12(6-8-13)17-10-9-14(24-17)11-20-21-18(23)15-3-1-2-4-16(15)22/h1-11,22H,(H,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421521 (CHEMBL285167) Show SMILES COc1ccc(C(=O)N\N=C\c2ccoc2)c(OC)c1 Show InChI InChI=1S/C14H14N2O4/c1-18-11-3-4-12(13(7-11)19-2)14(17)16-15-8-10-5-6-20-9-10/h3-9H,1-2H3,(H,16,17)/b15-8+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50421525 (CHEMBL37464) Show SMILES OC(=O)c1ccc([CH+][N-]NC(=O)c2cccc(c2)[N+]([O-])=O)o1 Show InChI InChI=1S/C13H9N3O6/c17-12(8-2-1-3-9(6-8)16(20)21)15-14-7-10-4-5-11(22-10)13(18)19/h1-7H,(H,15,17)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair