Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'san-félix' and Initial = 'a'   

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/RNaseH (Human immunodeficiency virus 1)	BDBM50175609 (5-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...) Show SMILES CNC(=O)CCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |c:32| Show InChI InChI=1S/C30H54N4O9SSi2/c1-20-17-34(27(37)33(25(20)36)16-14-13-15-23(35)32-8)26-24(42-46(11,12)29(5,6)7)30(21(31)19-44(38,39)43-30)22(41-26)18-40-45(9,10)28(2,3)4/h17,19,22,24,26H,13-16,18,31H2,1-12H3,(H,32,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50118490 (1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...) Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132253 (5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimi...) Show SMILES Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H27N3O2/c1-22-21-31(27(33)30-26(22)32)20-12-11-19-29-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21,29H,19-20H2,1H3,(H,30,32,33)/b12-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50175620 (6-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...) Show SMILES CNC(=O)CCCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:33| Show InChI InChI=1S/C31H56N4O9SSi2/c1-21-18-35(28(38)34(26(21)37)17-15-13-14-16-24(36)33-8)27-25(43-47(11,12)30(5,6)7)31(22(32)20-45(39,40)44-31)23(42-27)19-41-46(9,10)29(2,3)4/h18,20,23,25,27H,13-17,19,32H2,1-12H3,(H,33,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50175627 (1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(t...) Show SMILES COCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:28| Show InChI InChI=1S/C27H49N3O9SSi2/c1-18-15-30(24(32)29(22(18)31)13-14-35-8)23-21(38-42(11,12)26(5,6)7)27(19(28)17-40(33,34)39-27)20(37-23)16-36-41(9,10)25(2,3)4/h15,17,20-21,23H,13-14,16,28H2,1-12H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50100110 (1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(t...) Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCO)c1=O |c:21| Show InChI InChI=1S/C27H49N3O9SSi2/c1-18-15-30(24(33)29(22(18)32)13-12-14-31)23-21(38-42(10,11)26(5,6)7)27(19(28)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h15,17,20-21,23,31H,12-14,16,28H2,1-11H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50175621 (CHEMBL3143760 | {3-[4-Amino-9-(tert-butyl-dimethyl...) Show SMILES COC(=O)Cn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:29| Show InChI InChI=1S/C27H47N3O10SSi2/c1-17-13-30(24(33)29(22(17)32)14-20(31)36-8)23-21(39-43(11,12)26(5,6)7)27(18(28)16-41(34,35)40-27)19(38-23)15-37-42(9,10)25(2,3)4/h13,16,19,21,23H,14-15,28H2,1-12H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50175602 (2-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...) Show SMILES CNC(=O)Cn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:29| Show InChI InChI=1S/C27H48N4O9SSi2/c1-17-13-31(24(34)30(22(17)33)14-20(32)29-8)23-21(39-43(11,12)26(5,6)7)27(18(28)16-41(35,36)40-27)19(38-23)15-37-42(9,10)25(2,3)4/h13,16,19,21,23H,14-15,28H2,1-12H3,(H,29,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50175618 (1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(t...) Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCO)c1=O |r,c:21| Show InChI InChI=1S/C26H47N3O9SSi2/c1-17-14-29(23(32)28(12-13-30)21(17)31)22-20(37-41(10,11)25(5,6)7)26(18(27)16-39(33,34)38-26)19(36-22)15-35-40(8,9)24(2,3)4/h14,16,19-20,22,30H,12-13,15,27H2,1-11H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50175604 (2-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...) Show SMILES CN(C)C(=O)Cn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:30| Show InChI InChI=1S/C28H50N4O9SSi2/c1-18-14-32(25(35)31(23(18)34)15-21(33)30(8)9)24-22(40-44(12,13)27(5,6)7)28(19(29)17-42(36,37)41-28)20(39-24)16-38-43(10,11)26(2,3)4/h14,17,20,22,24H,15-16,29H2,1-13H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132251 (1-(4-Dibenzylamino-but-2-enyl)-5-methyl-1H-pyrimid...) Show SMILES Cc1cn(C\C=C/CN(Cc2ccccc2)Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C23H25N3O2/c1-19-16-26(23(28)24-22(19)27)15-9-8-14-25(17-20-10-4-2-5-11-20)18-21-12-6-3-7-13-21/h2-13,16H,14-15,17-18H2,1H3,(H,24,27,28)/b9-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 1				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50169035 (1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...) Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O |c:21| Show InChI InChI=1S/C24H43N3O8SSi2/c1-15-12-27(21(29)26-19(15)28)20-18(34-38(10,11)23(5,6)7)24(16(25)14-36(30,31)35-24)17(33-20)13-32-37(8,9)22(2,3)4/h12,14,17-18,20H,13,25H2,1-11H3,(H,26,28,29)/t17-,18+,20-,24-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description The compound was evaluated for inhibition of HIV-1 wild types GluL38-Lys recombinant reverse transcriptase				Bioorg Med Chem Lett 11: 3085-8 (2001) BindingDB Entry DOI: 10.7270/Q2QC02S2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193562 (CHEMBL263515 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES CC(C)[C@H](N)C(=O)NCC(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:39| Show InChI InChI=1S/C34H62N6O10SSi2/c1-21(2)26(36)28(42)38-17-25(41)37-15-14-16-39-29(43)22(3)18-40(31(39)44)30-27(49-53(12,13)33(7,8)9)34(23(35)20-51(45,46)50-34)24(48-30)19-47-52(10,11)32(4,5)6/h18,20-21,24,26-27,30H,14-17,19,35-36H2,1-13H3,(H,37,41)(H,38,42)/t24?,26-,27?,30?,34?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193556 (CHEMBL213257 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(N)=O)c1=O |c:21| Show InChI InChI=1S/C36H63N7O11SSi2/c1-22-19-43(33(48)42(30(22)46)17-13-15-40-29(45)24-14-12-16-41(24)31(47)23(37)18-27(39)44)32-28(53-57(10,11)35(5,6)7)36(25(38)21-55(49,50)54-36)26(52-32)20-51-56(8,9)34(2,3)4/h19,21,23-24,26,28,32H,12-18,20,37-38H2,1-11H3,(H2,39,44)(H,40,45)/t23-,24-,26?,28?,32?,36?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132252 (2-Biphenyl-4-yl-N-[4-(5-methyl-2,4-dioxo-3,4-dihyd...) Show SMILES Cc1cn(C\C=C/CNC(=O)Cc2ccc(cc2)-c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C23H23N3O3/c1-17-16-26(23(29)25-22(17)28)14-6-5-13-24-21(27)15-18-9-11-20(12-10-18)19-7-3-2-4-8-19/h2-12,16H,13-15H2,1H3,(H,24,27)(H,25,28,29)/b6-5-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193557 (CHEMBL212339 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:50| Show InChI InChI=1S/C42H75N7O11SSi2/c1-25(2)31(44)37(53)47-20-16-18-28(47)34(50)46-32(26(3)4)35(51)45-19-17-21-48-36(52)27(5)22-49(39(48)54)38-33(59-63(14,15)41(9,10)11)42(29(43)24-61(55,56)60-42)30(58-38)23-57-62(12,13)40(6,7)8/h22,24-26,28,30-33,38H,16-21,23,43-44H2,1-15H3,(H,45,51)(H,46,50)/t28-,30?,31-,32-,33?,38?,42?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50175607 (1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(t...) Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C\C=C\CO)c1=O |r,c:21| Show InChI InChI=1S/C28H49N3O9SSi2/c1-19-16-31(25(34)30(23(19)33)14-12-13-15-32)24-22(39-43(10,11)27(5,6)7)28(20(29)18-41(35,36)40-28)21(38-24)17-37-42(8,9)26(2,3)4/h12-13,16,18,21-22,24,32H,14-15,17,29H2,1-11H3/b13-12+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193563 (CHEMBL378037 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:43| Show InChI InChI=1S/C38H70N6O10SSi2/c1-23(2)19-26(42-32(46)29(40)24(3)4)31(45)41-17-16-18-43-33(47)25(5)20-44(35(43)48)34-30(53-57(14,15)37(9,10)11)38(27(39)22-55(49,50)54-38)28(52-34)21-51-56(12,13)36(6,7)8/h20,22-24,26,28-30,34H,16-19,21,39-40H2,1-15H3,(H,41,45)(H,42,46)/t26-,28?,29-,30?,34?,38?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193560 (CHEMBL380211 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCN)c1=O |c:21| Show InChI InChI=1S/C38H69N7O10SSi2/c1-25-22-45(35(49)44(32(25)47)21-15-19-42-31(46)27-17-14-20-43(27)33(48)26(40)16-12-13-18-39)34-30(54-58(10,11)37(5,6)7)38(28(41)24-56(50,51)55-38)29(53-34)23-52-57(8,9)36(2,3)4/h22,24,26-27,29-30,34H,12-21,23,39-41H2,1-11H3,(H,42,46)/t26-,27-,29?,30?,34?,38?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193559 (CHEMBL214795 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES CC(C)[C@H](N)C(=O)N1C[C@H](O)[C@H](O)[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:45| Show InChI InChI=1S/C37H66N6O12SSi2/c1-21(2)26(39)32(48)42-18-23(44)28(45)27(42)30(46)40-15-14-16-41-31(47)22(3)17-43(34(41)49)33-29(54-58(12,13)36(7,8)9)37(24(38)20-56(50,51)55-37)25(53-33)19-52-57(10,11)35(4,5)6/h17,20-21,23,25-29,33,44-45H,14-16,18-19,38-39H2,1-13H3,(H,40,46)/t23-,25?,26-,27-,28-,29?,33?,37?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193558 (CHEMBL383894 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:40| Show InChI InChI=1S/C35H64N6O10SSi2/c1-21(2)26(37)29(43)39-23(4)28(42)38-16-15-17-40-30(44)22(3)18-41(32(40)45)31-27(50-54(13,14)34(8,9)10)35(24(36)20-52(46,47)51-35)25(49-31)19-48-53(11,12)33(5,6)7/h18,20-21,23,25-27,31H,15-17,19,36-37H2,1-14H3,(H,38,42)(H,39,43)/t23-,25?,26-,27?,31?,35?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50175623 (1-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(t...) Show SMILES CN(C)CCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:30| Show InChI InChI=1S/C29H54N4O8SSi2/c1-20-17-33(26(35)32(24(20)34)16-14-15-31(8)9)25-23(40-44(12,13)28(5,6)7)29(21(30)19-42(36,37)41-29)22(39-25)18-38-43(10,11)27(2,3)4/h17,19,22-23,25H,14-16,18,30H2,1-13H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193554 (CHEMBL438175 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:43| Show InChI InChI=1S/C37H66N6O10SSi2/c1-23(2)28(39)32(46)41-18-14-16-25(41)30(44)40-17-15-19-42-31(45)24(3)20-43(34(42)47)33-29(52-56(12,13)36(7,8)9)37(26(38)22-54(48,49)53-37)27(51-33)21-50-55(10,11)35(4,5)6/h20,22-23,25,27-29,33H,14-19,21,38-39H2,1-13H3,(H,40,44)/t25-,27?,28-,29?,33?,37?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193564 (CHEMBL385844 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES CC(C)[C@H](N)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:35| Show InChI InChI=1S/C32H59N5O9SSi2/c1-20(2)24(34)26(38)35-15-14-16-36-27(39)21(3)17-37(29(36)40)28-25(45-49(12,13)31(7,8)9)32(22(33)19-47(41,42)46-32)23(44-28)18-43-48(10,11)30(4,5)6/h17,19-20,23-25,28H,14-16,18,33-34H2,1-13H3,(H,35,38)/t23?,24-,25?,28?,32?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193565 (CHEMBL445417 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:47| Show InChI InChI=1S/C41H68N6O10SSi2/c1-26(2)32(43)35(49)45-29(22-28-18-15-14-16-19-28)34(48)44-20-17-21-46-36(50)27(3)23-47(38(46)51)37-33(56-60(12,13)40(7,8)9)41(30(42)25-58(52,53)57-41)31(55-37)24-54-59(10,11)39(4,5)6/h14-16,18-19,23,25-26,29,31-33,37H,17,20-22,24,42-43H2,1-13H3,(H,44,48)(H,45,49)/t29-,31?,32-,33?,37?,41?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193551 (CHEMBL405279 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(O)=O)c1=O |c:21| Show InChI InChI=1S/C36H62N6O12SSi2/c1-22-19-42(33(48)41(30(22)46)17-13-15-39-29(45)24-14-12-16-40(24)31(47)23(37)18-27(43)44)32-28(53-57(10,11)35(5,6)7)36(25(38)21-55(49,50)54-36)26(52-32)20-51-56(8,9)34(2,3)4/h19,21,23-24,26,28,32H,12-18,20,37-38H2,1-11H3,(H,39,45)(H,43,44)/t23-,24-,26?,28?,32?,36?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50192301 (1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...) Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCN)c1=O |c:21| Show InChI InChI=1S/C27H50N4O8SSi2/c1-18-15-31(24(33)30(22(18)32)14-12-13-28)23-21(38-42(10,11)26(5,6)7)27(19(29)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h15,17,20-21,23H,12-14,16,28-29H2,1-11H3/t20-,21+,23-,27-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50192301 (1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-si...) Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCN)c1=O |c:21| Show InChI InChI=1S/C27H50N4O8SSi2/c1-18-15-31(24(33)30(22(18)32)14-12-13-28)23-21(38-42(10,11)26(5,6)7)27(19(29)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h15,17,20-21,23H,12-14,16,28-29H2,1-11H3/t20-,21+,23-,27-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193552 (CHEMBL379994 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)c1=O |c:21| Show InChI InChI=1S/C41H66N6O11SSi2/c1-26-23-47(37-33(57-61(10,11)40(5,6)7)41(31(43)25-59(53,54)58-41)32(56-37)24-55-60(8,9)39(2,3)4)38(52)46(35(26)50)21-13-19-44-34(49)30-14-12-20-45(30)36(51)29(42)22-27-15-17-28(48)18-16-27/h15-18,23,25,29-30,32-33,37,48H,12-14,19-22,24,42-43H2,1-11H3,(H,44,49)/t29-,30-,32?,33?,37?,41?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50175622 ((3-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-...) Show SMILES [I-].Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCC[N+](C)(C)C)c1=O |r,c:21| Show InChI InChI=1S/C30H57N4O8SSi2/c1-21-18-33(27(36)32(25(21)35)16-15-17-34(8,9)10)26-24(41-45(13,14)29(5,6)7)30(22(31)20-43(37,38)42-30)23(40-26)19-39-44(11,12)28(2,3)4/h18,20,23-24,26H,15-17,19,31H2,1-14H3/q+1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193550 (CHEMBL213365 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCNC(=O)[C@@H]2CCCN2C(=O)CN)c1=O |c:21| Show InChI InChI=1S/C34H60N6O10SSi2/c1-22-19-40(31(44)39(29(22)43)17-13-15-37-28(42)23-14-12-16-38(23)26(41)18-35)30-27(49-53(10,11)33(5,6)7)34(24(36)21-51(45,46)50-34)25(48-30)20-47-52(8,9)32(2,3)4/h19,21,23,25,27,30H,12-18,20,35-36H2,1-11H3,(H,37,42)/t23-,25?,27?,30?,34?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50024403 (CHEMBL3143799) Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCCO)c1=O |r,c:21| Show InChI InChI=1S/C28H51N3O9SSi2/c1-19-16-31(25(34)30(23(19)33)14-12-13-15-32)24-22(39-43(10,11)27(5,6)7)28(20(29)18-41(35,36)40-28)21(38-24)17-37-42(8,9)26(2,3)4/h16,18,21-22,24,32H,12-15,17,29H2,1-11H3/t21-,22+,24-,28-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50175628 (BDBM50192299 | CHEMBL379599 | {3-[4-Amino-9-(tert-...) Show SMILES Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O |c:21| Show InChI InChI=1S/C26H45N3O10SSi2/c1-16-12-29(23(33)28(21(16)32)13-19(30)31)22-20(38-42(10,11)25(5,6)7)26(17(27)15-40(34,35)39-26)18(37-22)14-36-41(8,9)24(2,3)4/h12,15,18,20,22H,13-14,27H2,1-11H3,(H,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193553 (CHEMBL379485 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES CC(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:44| Show InChI InChI=1S/C37H66N6O11SSi2/c1-22(2)28(39)32(47)42-19-24(44)17-25(42)30(45)40-15-14-16-41-31(46)23(3)18-43(34(41)48)33-29(53-57(12,13)36(7,8)9)37(26(38)21-55(49,50)54-37)27(52-33)20-51-56(10,11)35(4,5)6/h18,21-22,24-25,27-29,33,44H,14-17,19-20,38-39H2,1-13H3,(H,40,45)/t24-,25+,27?,28+,29?,33?,37?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193555 (CHEMBL408333 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O |c:43| Show InChI InChI=1S/C37H66N6O10SSi2/c1-23(2)28(39)32(46)41-18-14-16-25(41)30(44)40-17-15-19-42-31(45)24(3)20-43(34(42)47)33-29(52-56(12,13)36(7,8)9)37(26(38)22-54(48,49)53-37)27(51-33)21-50-55(10,11)35(4,5)6/h20,22-23,25,27-29,33H,14-19,21,38-39H2,1-13H3,(H,40,44)/t25-,27?,28+,29?,33?,37?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132249 (2-(4-Chloro-phenyl)-N-[4-(5-methyl-2,4-dioxo-3,4-d...) Show SMILES Cc1cn(C\C=C/CNC(=O)Cc2ccc(Cl)cc2)c(=O)[nH]c1=O Show InChI InChI=1S/C17H18ClN3O3/c1-12-11-21(17(24)20-16(12)23)9-3-2-8-19-15(22)10-13-4-6-14(18)7-5-13/h2-7,11H,8-10H2,1H3,(H,19,22)(H,20,23,24)/b3-2-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132253 (5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimi...) Show SMILES Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H27N3O2/c1-22-21-31(27(33)30-26(22)32)20-12-11-19-29-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21,29H,19-20H2,1H3,(H,30,32,33)/b12-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132256 (CHEMBL102986 | N-[4-(5-Methyl-2,4-dioxo-3,4-dihydr...) Show SMILES Cc1cn(C\C=C/CNC(=O)C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C23H23N3O3/c1-17-16-26(23(29)25-21(17)27)15-9-8-14-24-22(28)20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-13,16,20H,14-15H2,1H3,(H,24,28)(H,25,27,29)/b9-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50193566 (CHEMBL378646 | [1-[2',5'-bis-O-(tert-butyldimethyl...) Show SMILES CC(C)[C@H](N)C(=O)N1C[C@@H](C[C@H]1C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O)OCc1ccccc1 |c:43| Show InChI InChI=1S/C44H72N6O11SSi2/c1-28(2)35(46)39(53)49-24-31(57-25-30-18-15-14-16-19-30)22-32(49)37(51)47-20-17-21-48-38(52)29(3)23-50(41(48)54)40-36(60-64(12,13)43(7,8)9)44(33(45)27-62(55,56)61-44)34(59-40)26-58-63(10,11)42(4,5)6/h14-16,18-19,23,27-28,31-32,34-36,40H,17,20-22,24-26,45-46H2,1-13H3,(H,47,51)/t31-,32+,34?,35+,36?,40?,44?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 reverse transcriptase				J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132255 (CHEMBL431234 | N-[4-(5-Methyl-2,4-dioxo-3,4-dihydr...) Show SMILES Cc1cn(C\C=C/CNC(=O)c2cccc(c2)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C17H16F3N3O3/c1-11-10-23(16(26)22-14(11)24)8-3-2-7-21-15(25)12-5-4-6-13(9-12)17(18,19)20/h2-6,9-10H,7-8H2,1H3,(H,21,25)(H,22,24,26)/b3-2-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50175616 (4-{3-[4-Amino-9-(tert-butyl-dimethyl-silanyloxy)-6...) Show SMILES COC(=O)\C=C\Cn1c(=O)c(C)cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c1=O |r,c:31| Show InChI InChI=1S/C29H49N3O10SSi2/c1-19-16-32(26(35)31(24(19)34)15-13-14-22(33)38-8)25-23(41-45(11,12)28(5,6)7)29(20(30)18-43(36,37)42-29)21(40-25)17-39-44(9,10)27(2,3)4/h13-14,16,18,21,23,25H,15,17,30H2,1-12H3/b14-13+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase				J Med Chem 48: 6653-60 (2005) Article DOI: 10.1021/jm050437n BindingDB Entry DOI: 10.7270/Q2VT1RP3
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132250 (9H-Xanthene-9-carboxylic acid [4-(5-methyl-2,4-dio...) Show SMILES Cc1cn(C\C=C/CNC(=O)C2c3ccccc3Oc3ccccc23)c(=O)[nH]c1=O Show InChI InChI=1S/C23H21N3O4/c1-15-14-26(23(29)25-21(15)27)13-7-6-12-24-22(28)20-16-8-2-4-10-18(16)30-19-11-5-3-9-17(19)20/h2-11,14,20H,12-13H2,1H3,(H,24,28)(H,25,27,29)/b7-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50106919 (CHEMBL105018 | {3-[3-(tert-Butyl-dimethyl-silanylo...) Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)CC2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O Show InChI InChI=1S/C24H44N2O7Si2/c1-16-13-26(22(30)25(20(16)29)14-19(27)28)21-18(33-35(10,11)24(5,6)7)12-17(32-21)15-31-34(8,9)23(2,3)4/h13,17-18,21H,12,14-15H2,1-11H3,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description The compound was evaluated for inhibition of HIV-1 wild types GluL38-Lys recombinant reverse transcriptase				Bioorg Med Chem Lett 11: 3085-8 (2001) BindingDB Entry DOI: 10.7270/Q2QC02S2
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50118490 (1-[(Z)-4-(triphenylmethoxy)-2-butenyl]thymine | 5-...) Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H26N2O3/c1-22-21-30(27(32)29-26(22)31)19-11-12-20-33-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21H,19-20H2,1H3,(H,29,31,32)/b12-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50106919 (CHEMBL105018 | {3-[3-(tert-Butyl-dimethyl-silanylo...) Show SMILES Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)CC2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O Show InChI InChI=1S/C24H44N2O7Si2/c1-16-13-26(22(30)25(20(16)29)14-19(27)28)21-18(33-35(10,11)24(5,6)7)12-17(32-21)15-31-34(8,9)23(2,3)4/h13,17-18,21H,12,14-15H2,1-11H3,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description The compound was evaluated for inhibition of HIV-1 wild types GluL38-Lys recombinant reverse transcriptase				Bioorg Med Chem Lett 11: 3085-8 (2001) BindingDB Entry DOI: 10.7270/Q2QC02S2
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132257 (1-(4-Benzylamino-but-2-enyl)-5-methyl-1H-pyrimidin...) Show SMILES Cc1cn(C\C=C/CNCc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C16H19N3O2/c1-13-12-19(16(21)18-15(13)20)10-6-5-9-17-11-14-7-3-2-4-8-14/h2-8,12,17H,9-11H2,1H3,(H,18,20,21)/b6-5-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132255 (CHEMBL431234 | N-[4-(5-Methyl-2,4-dioxo-3,4-dihydr...) Show SMILES Cc1cn(C\C=C/CNC(=O)c2cccc(c2)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C17H16F3N3O3/c1-11-10-23(16(26)22-14(11)24)8-3-2-7-21-15(25)12-5-4-6-13(9-12)17(18,19)20/h2-6,9-10H,7-8H2,1H3,(H,21,25)(H,22,24,26)/b3-2-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132256 (CHEMBL102986 | N-[4-(5-Methyl-2,4-dioxo-3,4-dihydr...) Show SMILES Cc1cn(C\C=C/CNC(=O)C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C23H23N3O3/c1-17-16-26(23(29)25-21(17)27)15-9-8-14-24-22(28)20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-13,16,20H,14-15H2,1H3,(H,24,28)(H,25,27,29)/b9-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 1				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132252 (2-Biphenyl-4-yl-N-[4-(5-methyl-2,4-dioxo-3,4-dihyd...) Show SMILES Cc1cn(C\C=C/CNC(=O)Cc2ccc(cc2)-c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C23H23N3O3/c1-17-16-26(23(29)25-22(17)28)14-6-5-13-24-21(27)15-18-9-11-20(12-10-18)19-7-3-2-4-8-19/h2-12,16H,13-15H2,1H3,(H,24,27)(H,25,28,29)/b6-5-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50132250 (9H-Xanthene-9-carboxylic acid [4-(5-methyl-2,4-dio...) Show SMILES Cc1cn(C\C=C/CNC(=O)C2c3ccccc3Oc3ccccc23)c(=O)[nH]c1=O Show InChI InChI=1S/C23H21N3O4/c1-15-14-26(23(29)25-21(15)27)13-7-6-12-24-22(28)20-16-8-2-4-10-18(16)30-19-11-5-3-9-17(19)20/h2-11,14,20H,12-13H2,1H3,(H,24,28)(H,25,27,29)/b7-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (CSIC) Curated by ChEMBL					Assay Description Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase				Bioorg Med Chem Lett 13: 3027-30 (2003) BindingDB Entry DOI: 10.7270/Q2T15310
					More data for this Ligand-Target Pair

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