Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50008038   

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)	BDBM50070292 (2-(4-Hydroxy-2-methyl-pyrrolidin-2-yl)-N-[5-(5-met...) Show SMILES Cc1cn(C2OC(CNC(=O)CC3(C)CC(O)CN3)C=C2)c(=O)[nH]c1=O |c:20| Show InChI InChI=1S/C17H24N4O5/c1-10-9-21(16(25)20-15(10)24)14-4-3-12(26-14)8-18-13(23)6-17(2)5-11(22)7-19-17/h3-4,9,11-12,14,19,22H,5-8H2,1-2H3,(H,18,23)(H,20,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Wales Cardiff Curated by ChEMBL					Assay Description Concentration required for no significant inhibitory activity against HIV-1 reverse transcriptase				Bioorg Med Chem Lett 8: 1211-4 (1999) BindingDB Entry DOI: 10.7270/Q2PZ580P
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070296 (4-Hydroxy-2-methyl-2-({[5-(5-methyl-2,4-dioxo-3,4-...) Show SMILES Cc1cn(C2OC(CNC(=O)CC3(C)CC(O)CN3C(=O)OC(C)(C)C)C=C2)c(=O)[nH]c1=O |c:27| Show InChI InChI=1S/C22H32N4O7/c1-13-11-25(19(30)24-18(13)29)17-7-6-15(32-17)10-23-16(28)9-22(5)8-14(27)12-26(22)20(31)33-21(2,3)4/h6-7,11,14-15,17,27H,8-10,12H2,1-5H3,(H,23,28)(H,24,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Wales Cardiff Curated by ChEMBL					Assay Description Concentration required for no significant inhibitory activity against HIV-1 reverse transcriptase				Bioorg Med Chem Lett 8: 1211-4 (1999) BindingDB Entry DOI: 10.7270/Q2PZ580P
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070293 (2-({[3-(tert-Butyl-dimethyl-silanyloxy)-5-(5-methy...) Show SMILES Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(CNC(=O)CC3(C)CC(CN3C(=O)OC(C)(C)C)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C44H66N4O8Si2/c1-30-28-47(39(51)46-38(30)50)37-24-34(56-57(12,13)42(5,6)7)35(53-37)27-45-36(49)26-44(11)25-31(29-48(44)40(52)54-41(2,3)4)55-58(43(8,9)10,32-20-16-14-17-21-32)33-22-18-15-19-23-33/h14-23,28,31,34-35,37H,24-27,29H2,1-13H3,(H,45,49)(H,46,50,51)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Wales Cardiff Curated by ChEMBL					Assay Description Concentration required for no significant inhibitory activity against HIV-1 reverse transcriptase				Bioorg Med Chem Lett 8: 1211-4 (1999) BindingDB Entry DOI: 10.7270/Q2PZ580P
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070294 (CHEMBL20165 | N-[3-Hydroxy-5-(5-methyl-2,4-dioxo-3...) Show SMILES Cc1cn(C2CC(O)C(CNC(=O)CC3(C)CC(O)CN3)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C17H26N4O6/c1-9-8-21(16(26)20-15(9)25)14-3-11(23)12(27-14)7-18-13(24)5-17(2)4-10(22)6-19-17/h8,10-12,14,19,22-23H,3-7H2,1-2H3,(H,18,24)(H,20,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Wales Cardiff Curated by ChEMBL					Assay Description Concentration required for no significant inhibitory activity against HIV-1 reverse transcriptase				Bioorg Med Chem Lett 8: 1211-4 (1999) BindingDB Entry DOI: 10.7270/Q2PZ580P
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070295 (4-(tert-Butyl-diphenyl-silanyloxy)-2-methyl-2-({[5...) Show SMILES Cc1cn(C2OC(CNC(=O)CC3(C)CC(CN3C(=O)OC(C)(C)C)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C=C2)c(=O)[nH]c1=O |c:46| Show InChI InChI=1S/C38H50N4O7Si/c1-26-24-41(34(45)40-33(26)44)32-20-19-27(47-32)23-39-31(43)22-38(8)21-28(25-42(38)35(46)48-36(2,3)4)49-50(37(5,6)7,29-15-11-9-12-16-29)30-17-13-10-14-18-30/h9-20,24,27-28,32H,21-23,25H2,1-8H3,(H,39,43)(H,40,44,45)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Wales Cardiff Curated by ChEMBL					Assay Description Concentration required for no significant inhibitory activity against HIV-1 reverse transcriptase				Bioorg Med Chem Lett 8: 1211-4 (1999) BindingDB Entry DOI: 10.7270/Q2PZ580P
					More data for this Ligand-Target Pair