Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50008081   

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)	BDBM50070535 (1-[(1R,2R)-2-(6-Chloro-3-ethoxy-2-fluoro-phenyl)-c...) Show SMILES CCOc1ccc(Cl)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070536 (1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2...) Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H16ClF2N3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070533 (1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2,6-difluo...) Show SMILES Fc1cccc(F)c1[C@H]1C[C@H]1NC(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C15H12ClF2N3O/c16-8-4-5-13(19-7-8)21-15(22)20-12-6-9(12)14-10(17)2-1-3-11(14)18/h1-5,7,9,12H,6H2,(H2,19,20,21,22)/t9-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070531 (1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2-fluoro-3...) Show SMILES COc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H17ClFN3O3/c1-24-12-4-5-13(25-2)16(19)15(12)10-7-11(10)21-17(23)22-14-6-3-9(18)8-20-14/h3-6,8,10-11H,7H2,1-2H3,(H2,20,21,22,23)/t10-,11+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Compound was tested for its inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070537 (1-(5-Chloro-pyridin-2-yl)-3-[2-(2,6-difluoro-pheny...) Show SMILES Fc1cccc(F)c1CCNC(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C14H12ClF2N3O/c15-9-4-5-13(19-8-9)20-14(21)18-7-6-10-11(16)2-1-3-12(10)17/h1-5,8H,6-7H2,(H2,18,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2717 (1-(5-chloropyridin-2-yl)-3-[2-(2-fluoro-3,6-dimeth...) Show SMILES COc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C16H17ClFN3O3/c1-23-12-4-5-13(24-2)15(18)11(12)7-8-19-16(22)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2860 (1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...) Show SMILES CCOc1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1Cl Show InChI InChI=1S/C16H16BrClFN3O2/c1-2-24-13-5-4-12(19)11(15(13)18)7-8-20-16(23)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070530 (1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...) Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(cn2)C#N)c1Cl Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(20)16(17(14)19)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)/t11-,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070532 (1-(5-Bromo-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2-...) Show SMILES CCOc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1F Show InChI InChI=1S/C18H19BrFN3O3/c1-3-26-14-6-5-13(25-2)16(17(14)20)11-8-12(11)22-18(24)23-15-7-4-10(19)9-21-15/h4-7,9,11-12H,3,8H2,1-2H3,(H2,21,22,23,24)/t11-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070534 (1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-...) Show SMILES CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H19ClFN3O3/c1-3-25-14-6-5-13(24-2)12(16(14)19)8-9-20-17(23)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070538 (1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...) Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1Cl Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(20)15(16(13)19)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070536 (1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2...) Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H16ClF2N3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070535 (1-[(1R,2R)-2-(6-Chloro-3-ethoxy-2-fluoro-phenyl)-c...) Show SMILES CCOc1ccc(Cl)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2716 (1-(5-bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,...) Show SMILES CN(C)c1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1F Show InChI InChI=1S/C16H17BrF2N4O/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070533 (1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2,6-difluo...) Show SMILES Fc1cccc(F)c1[C@H]1C[C@H]1NC(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C15H12ClF2N3O/c16-8-4-5-13(19-7-8)21-15(22)20-12-6-9(12)14-10(17)2-1-3-11(14)18/h1-5,7,9,12H,6H2,(H2,19,20,21,22)/t9-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070538 (1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...) Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1Cl Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(20)15(16(13)19)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070535 (1-[(1R,2R)-2-(6-Chloro-3-ethoxy-2-fluoro-phenyl)-c...) Show SMILES CCOc1ccc(Cl)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070530 (1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...) Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(cn2)C#N)c1Cl Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(20)16(17(14)19)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)/t11-,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070530 (1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...) Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(cn2)C#N)c1Cl Show InChI InChI=1S/C18H16ClFN4O2/c1-2-26-14-5-4-12(20)16(17(14)19)11-7-13(11)23-18(25)24-15-6-3-10(8-21)9-22-15/h3-6,9,11,13H,2,7H2,1H3,(H2,22,23,24,25)/t11-,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070538 (1-[(1R,2R)-2-(2-Chloro-3-ethoxy-6-fluoro-phenyl)-c...) Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1Cl Show InChI InChI=1S/C17H16Cl2FN3O2/c1-2-25-13-5-4-11(20)15(16(13)19)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070536 (1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2...) Show SMILES CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H16ClF2N3O2/c1-2-25-13-5-4-11(19)15(16(13)20)10-7-12(10)22-17(24)23-14-6-3-9(18)8-21-14/h3-6,8,10,12H,2,7H2,1H3,(H2,21,22,23,24)/t10-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070532 (1-(5-Bromo-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2-...) Show SMILES CCOc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1F Show InChI InChI=1S/C18H19BrFN3O3/c1-3-26-14-6-5-13(25-2)16(17(14)20)11-8-12(11)22-18(24)23-15-7-4-10(19)9-21-15/h4-7,9,11-12H,3,8H2,1-2H3,(H2,21,22,23,24)/t11-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1317 (3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...) Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2720 (1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6...) Show SMILES COc1ccc(C(C)=O)c(F)c1CCNC(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C17H17ClFN3O3/c1-10(23)12-4-5-14(25-2)13(16(12)19)7-8-20-17(24)22-15-6-3-11(18)9-21-15/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070533 (1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2,6-difluo...) Show SMILES Fc1cccc(F)c1[C@H]1C[C@H]1NC(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C15H12ClF2N3O/c16-8-4-5-13(19-7-8)21-15(22)20-12-6-9(12)14-10(17)2-1-3-11(14)18/h1-5,7,9,12H,6H2,(H2,19,20,21,22)/t9-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2717 (1-(5-chloropyridin-2-yl)-3-[2-(2-fluoro-3,6-dimeth...) Show SMILES COc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C16H17ClFN3O3/c1-23-12-4-5-13(24-2)15(18)11(12)7-8-19-16(22)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2717 (1-(5-chloropyridin-2-yl)-3-[2-(2-fluoro-3,6-dimeth...) Show SMILES COc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C16H17ClFN3O3/c1-23-12-4-5-13(24-2)15(18)11(12)7-8-19-16(22)21-14-6-3-10(17)9-20-14/h3-6,9H,7-8H2,1-2H3,(H2,19,20,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070539 ((S)-9-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,...) Show SMILES C[C@H]1C(Cl)n2c3c(CN1CC=C(C)C)cccc3[nH]c2=S |wD:1.0,(15.35,-13.04,;14.11,-13.39,;13.57,-11.93,;14.63,-10.79,;12.02,-11.48,;10.69,-12.43,;10.69,-14,;11.82,-14.79,;13.37,-14.48,;14.08,-15.54,;15.35,-15.46,;16.05,-16.52,;15.48,-17.66,;17.32,-16.44,;9.36,-14.77,;8.01,-14.01,;8.01,-12.44,;9.36,-11.66,;9.34,-10.13,;11.74,-9.87,;12.51,-8.86,)| Show InChI InChI=1S/C16H20ClN3S/c1-10(2)7-8-19-9-12-5-4-6-13-14(12)20(16(21)18-13)15(17)11(19)3/h4-7,11,15H,8-9H2,1-3H3,(H,18,21)/t11-,15?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Compound was tested for its inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070532 (1-(5-Bromo-pyridin-2-yl)-3-[(1R,2R)-2-(3-ethoxy-2-...) Show SMILES CCOc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1F Show InChI InChI=1S/C18H19BrFN3O3/c1-3-26-14-6-5-13(25-2)16(17(14)20)11-8-12(11)22-18(24)23-15-7-4-10(19)9-21-15/h4-7,9,11-12H,3,8H2,1-2H3,(H2,21,22,23,24)/t11-,12+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2860 (1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...) Show SMILES CCOc1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1Cl Show InChI InChI=1S/C16H16BrClFN3O2/c1-2-24-13-5-4-12(19)11(15(13)18)7-8-20-16(23)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070531 (1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2-fluoro-3...) Show SMILES COc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H17ClFN3O3/c1-24-12-4-5-13(25-2)16(19)15(12)10-7-11(10)21-17(23)22-14-6-3-9(18)8-20-14/h3-6,8,10-11H,7H2,1-2H3,(H2,20,21,22,23)/t10-,11+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070531 (1-(5-Chloro-pyridin-2-yl)-3-[(1R,2R)-2-(2-fluoro-3...) Show SMILES COc1ccc(OC)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H17ClFN3O3/c1-24-12-4-5-13(25-2)16(19)15(12)10-7-11(10)21-17(23)22-14-6-3-9(18)8-20-14/h3-6,8,10-11H,7H2,1-2H3,(H2,20,21,22,23)/t10-,11+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070537 (1-(5-Chloro-pyridin-2-yl)-3-[2-(2,6-difluoro-pheny...) Show SMILES Fc1cccc(F)c1CCNC(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C14H12ClF2N3O/c15-9-4-5-13(19-8-9)20-14(21)18-7-6-10-11(16)2-1-3-12(10)17/h1-5,8H,6-7H2,(H2,18,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Compound was tested for its inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070537 (1-(5-Chloro-pyridin-2-yl)-3-[2-(2,6-difluoro-pheny...) Show SMILES Fc1cccc(F)c1CCNC(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C14H12ClF2N3O/c15-9-4-5-13(19-8-9)20-14(21)18-7-6-10-11(16)2-1-3-12(10)17/h1-5,8H,6-7H2,(H2,18,19,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070534 (1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-...) Show SMILES CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H19ClFN3O3/c1-3-25-14-6-5-13(24-2)12(16(14)19)8-9-20-17(23)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1894 (1-(2-phenylethyl)-3-1,3-thiazol-2-ylthiourea | CHE...) Show SMILES S=C(NCCc1ccccc1)Nc1nccs1 Show InChI InChI=1S/C12H13N3S2/c16-11(15-12-14-8-9-17-12)13-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,13,14,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Antiviral activity was determined against HIV- 1 reverse transcriptase				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2720 (1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6...) Show SMILES COc1ccc(C(C)=O)c(F)c1CCNC(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C17H17ClFN3O3/c1-10(23)12-4-5-14(25-2)13(16(12)19)7-8-20-17(24)22-15-6-3-11(18)9-21-15/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2716 (1-(5-bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,...) Show SMILES CN(C)c1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1F Show InChI InChI=1S/C16H17BrF2N4O/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1317 (3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...) Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2860 (1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-...) Show SMILES CCOc1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1Cl Show InChI InChI=1S/C16H16BrClFN3O2/c1-2-24-13-5-4-12(19)11(15(13)18)7-8-20-16(23)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070534 (1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-...) Show SMILES CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H19ClFN3O3/c1-3-25-14-6-5-13(24-2)12(16(14)19)8-9-20-17(23)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2716 (1-(5-bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,...) Show SMILES CN(C)c1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1F Show InChI InChI=1S/C16H17BrF2N4O/c1-23(2)13-5-4-12(18)11(15(13)19)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2720 (1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6...) Show SMILES COc1ccc(C(C)=O)c(F)c1CCNC(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C17H17ClFN3O3/c1-10(23)12-4-5-14(25-2)13(16(12)19)7-8-20-17(24)22-15-6-3-11(18)9-21-15/h3-6,9H,7-8H2,1-2H3,(H2,20,21,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50070539 ((S)-9-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,...) Show SMILES C[C@H]1C(Cl)n2c3c(CN1CC=C(C)C)cccc3[nH]c2=S |wD:1.0,(15.35,-13.04,;14.11,-13.39,;13.57,-11.93,;14.63,-10.79,;12.02,-11.48,;10.69,-12.43,;10.69,-14,;11.82,-14.79,;13.37,-14.48,;14.08,-15.54,;15.35,-15.46,;16.05,-16.52,;15.48,-17.66,;17.32,-16.44,;9.36,-14.77,;8.01,-14.01,;8.01,-12.44,;9.36,-11.66,;9.34,-10.13,;11.74,-9.87,;12.51,-8.86,)| Show InChI InChI=1S/C16H20ClN3S/c1-10(2)7-8-19-9-12-5-4-6-13-14(12)20(16(21)18-13)15(17)11(19)3/h4-7,11,15H,8-9H2,1-3H3,(H,18,21)/t11-,15?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1317 (3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...) Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair

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