Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'souza' 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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em Fa´rmacos					Assay Description Biological assay using HIV-1 reverse transcriptase.				Medicinal Chemistry Research 15: 492-510 (2007) BindingDB Entry DOI: 10.7270/Q2DZ06W4
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus H3N2 neuraminidase				Bioorg Med Chem 23: 7777-84 (2015) Article DOI: 10.1016/j.bmc.2015.11.028 BindingDB Entry DOI: 10.7270/Q2FB55X5
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG 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
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of Influenza A virus H1N1 wild type neuraminidase				Bioorg Med Chem 23: 7777-84 (2015) Article DOI: 10.1016/j.bmc.2015.11.028 BindingDB Entry DOI: 10.7270/Q2FB55X5
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em Fa´rmacos					Assay Description Biological assay using HIV-1 reverse transcriptase.				Medicinal Chemistry Research 15: 492-510 (2007) BindingDB Entry DOI: 10.7270/Q2DZ06W4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479825 (CHEMBL515099) Show SMILES [H][C@]12O[C@H](COC(=O)c3nnn(Cc4ccccc4)c3C)[C@H](OCc3ccccc3)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C26H29N3O6/c1-17-21(27-28-29(17)14-18-10-6-4-7-11-18)24(30)32-16-20-22(31-15-19-12-8-5-9-13-19)23-25(33-20)35-26(2,3)34-23/h4-13,20,22-23,25H,14-16H2,1-3H3/t20-,22+,23-,25-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of polymerase activity of HIV1 recombinant reverse transcriptase expressed in Escherichia coli				Eur J Med Chem 44: 373-83 (2009) Article DOI: 10.1016/j.ejmech.2008.02.047 BindingDB Entry DOI: 10.7270/Q2NP2776
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479824 (CHEMBL474818) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@H](OC)O[C@@H]2COC(=O)c1nnn(Cc2ccccc2)c1C |r| Show InChI InChI=1S/C20H25N3O6/c1-12-15(21-22-23(12)10-13-8-6-5-7-9-13)18(24)26-11-14-16-17(19(25-4)27-14)29-20(2,3)28-16/h5-9,14,16-17,19H,10-11H2,1-4H3/t14-,16-,17-,19-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of polymerase activity of HIV1 recombinant reverse transcriptase expressed in Escherichia coli				Eur J Med Chem 44: 373-83 (2009) Article DOI: 10.1016/j.ejmech.2008.02.047 BindingDB Entry DOI: 10.7270/Q2NP2776
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50500018 (CHEMBL3740548) Show SMILES CCOC(=O)c1cn(CC)c2ccc(cc2c1=O)-n1cc(nn1)C1=CCCCC1 |t:26| Show InChI InChI=1S/C22H24N4O3/c1-3-25-13-18(22(28)29-4-2)21(27)17-12-16(10-11-20(17)25)26-14-19(23-24-26)15-8-6-5-7-9-15/h8,10-14H,3-7,9H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus H3N2 neuraminidase E119V mutant				Bioorg Med Chem 23: 7777-84 (2015) Article DOI: 10.1016/j.bmc.2015.11.028 BindingDB Entry DOI: 10.7270/Q2FB55X5
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM93122 (3-Hydroxy-2-oxo-3-trifluoromethylindole, 25) Show SMILES CC(=O)N1C(=O)C(O)(c2cc(Cl)ccc12)C(F)(F)F Show InChI InChI=1S/C11H7ClF3NO3/c1-5(17)16-8-3-2-6(12)4-7(8)10(19,9(16)18)11(13,14)15/h2-4,19H,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	3.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em Fa´rmacos					Assay Description Biological assay using HIV-1 reverse transcriptase.				Medicinal Chemistry Research 15: 492-510 (2007) BindingDB Entry DOI: 10.7270/Q2DZ06W4
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50500018 (CHEMBL3740548) Show SMILES CCOC(=O)c1cn(CC)c2ccc(cc2c1=O)-n1cc(nn1)C1=CCCCC1 |t:26| Show InChI InChI=1S/C22H24N4O3/c1-3-25-13-18(22(28)29-4-2)21(27)17-12-16(10-11-20(17)25)26-14-19(23-24-26)15-8-6-5-7-9-15/h8,10-14H,3-7,9H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of Influenza A virus H1N1 wild type neuraminidase				Bioorg Med Chem 23: 7777-84 (2015) Article DOI: 10.1016/j.bmc.2015.11.028 BindingDB Entry DOI: 10.7270/Q2FB55X5
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM93121 (3-Hydroxy-2-oxo-3-trifluoromethylindole, 21) Show SMILES CN1C(=O)C(O)(c2cc(Br)ccc12)C(F)(F)F Show InChI InChI=1S/C10H7BrF3NO2/c1-15-7-3-2-5(11)4-6(7)9(17,8(15)16)10(12,13)14/h2-4,17H,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	3.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em Fa´rmacos					Assay Description Biological assay using HIV-1 reverse transcriptase.				Medicinal Chemistry Research 15: 492-510 (2007) BindingDB Entry DOI: 10.7270/Q2DZ06W4
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus H3N2 neuraminidase E119V mutant				Bioorg Med Chem 23: 7777-84 (2015) Article DOI: 10.1016/j.bmc.2015.11.028 BindingDB Entry DOI: 10.7270/Q2FB55X5
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50479826 (CHEMBL473157) Show SMILES [H][C@@]1(COC(C)(C)O1)[C@@]1([H])O[C@]2([H])OC(C)(C)O[C@]2([H])[C@H]1OC(=O)c1nnn(Cc2ccccc2)c1C |r| Show InChI InChI=1S/C23H29N3O7/c1-13-16(24-25-26(13)11-14-9-7-6-8-10-14)20(27)29-18-17(15-12-28-22(2,3)31-15)30-21-19(18)32-23(4,5)33-21/h6-10,15,17-19,21H,11-12H2,1-5H3/t15-,17-,18+,19-,21-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of polymerase activity of HIV1 recombinant reverse transcriptase expressed in Escherichia coli				Eur J Med Chem 44: 373-83 (2009) Article DOI: 10.1016/j.ejmech.2008.02.047 BindingDB Entry DOI: 10.7270/Q2NP2776
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM93119 (3-Hydroxy-2-oxo-3-trifluoromethylindole, 16) Show SMILES OC1(C(=O)Nc2ccccc12)C(F)(F)F Show InChI InChI=1S/C9H6F3NO2/c10-9(11,12)8(15)5-3-1-2-4-6(5)13-7(8)14/h1-4,15H,(H,13,14)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	6.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em Fa´rmacos					Assay Description Biological assay using HIV-1 reverse transcriptase.				Medicinal Chemistry Research 15: 492-510 (2007) BindingDB Entry DOI: 10.7270/Q2DZ06W4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM93120 (3-Hydroxy-2-oxo-3-trifluoromethylindole, 18) Show SMILES OC1(C(=O)Nc2ccc(Cl)cc12)C(F)(F)F Show InChI InChI=1S/C9H5ClF3NO2/c10-4-1-2-6-5(3-4)8(16,7(15)14-6)9(11,12)13/h1-3,16H,(H,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em Fa´rmacos					Assay Description Biological assay using HIV-1 reverse transcriptase.				Medicinal Chemistry Research 15: 492-510 (2007) BindingDB Entry DOI: 10.7270/Q2DZ06W4
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM93123 (3-Hydroxy-2-oxo-3-trifluoromethylindole, 26) Show SMILES CC(=O)N1C(=O)C(O)(c2cc(C)ccc12)C(F)(F)F Show InChI InChI=1S/C12H10F3NO3/c1-6-3-4-9-8(5-6)11(19,12(13,14)15)10(18)16(9)7(2)17/h3-5,19H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	8.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em Fa´rmacos					Assay Description Biological assay using HIV-1 reverse transcriptase.				Medicinal Chemistry Research 15: 492-510 (2007) BindingDB Entry DOI: 10.7270/Q2DZ06W4
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50500018 (CHEMBL3740548) Show SMILES CCOC(=O)c1cn(CC)c2ccc(cc2c1=O)-n1cc(nn1)C1=CCCCC1 |t:26| Show InChI InChI=1S/C22H24N4O3/c1-3-25-13-18(22(28)29-4-2)21(27)17-12-16(10-11-20(17)25)26-14-19(23-24-26)15-8-6-5-7-9-15/h8,10-14H,3-7,9H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of Influenza A virus H1N1 neuraminidase H275Y mutant				Bioorg Med Chem 23: 7777-84 (2015) Article DOI: 10.1016/j.bmc.2015.11.028 BindingDB Entry DOI: 10.7270/Q2FB55X5
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50500018 (CHEMBL3740548) Show SMILES CCOC(=O)c1cn(CC)c2ccc(cc2c1=O)-n1cc(nn1)C1=CCCCC1 |t:26| Show InChI InChI=1S/C22H24N4O3/c1-3-25-13-18(22(28)29-4-2)21(27)17-12-16(10-11-20(17)25)26-14-19(23-24-26)15-8-6-5-7-9-15/h8,10-14H,3-7,9H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus H3N2 neuraminidase				Bioorg Med Chem 23: 7777-84 (2015) Article DOI: 10.1016/j.bmc.2015.11.028 BindingDB Entry DOI: 10.7270/Q2FB55X5
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of Influenza A virus H1N1 neuraminidase H275Y mutant				Bioorg Med Chem 23: 7777-84 (2015) Article DOI: 10.1016/j.bmc.2015.11.028 BindingDB Entry DOI: 10.7270/Q2FB55X5
					More data for this Ligand-Target Pair