Compile Data Set for Download or QSAR

Found 328 hits with Last Name = 'kopta' and Initial = 'la'   

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)	BDBM50066924 (6-Chloro-2-(6-chloro-benzo[1,3]dioxol-5-ylmethylsu...) Show SMILES Nc1cc(Cl)nc(SCc2cc3OCOc3cc2Cl)n1 Show InChI InChI=1S/C12H9Cl2N3O2S/c13-7-2-9-8(18-5-19-9)1-6(7)4-20-12-16-10(14)3-11(15)17-12/h1-3H,4-5H2,(H2,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against E233V mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064009 (6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...) Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against P236L mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against P236L mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064009 (6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...) Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064008 (6-Chloro-2-((R)-1-furo[2,3-c]pyridin-5-yl-ethylsul...) Show SMILES C[C@@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against P236L mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50166407 ((Z)-2-Benzoylamino-3-[4-(2-bromo-6-fluoro-phenoxy)...) Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2c(F)cccc2Br)cc1 Show InChI InChI=1S/C22H15BrFNO4/c23-17-7-4-8-18(24)20(17)29-16-11-9-14(10-12-16)13-19(22(27)28)25-21(26)15-5-2-1-3-6-15/h1-13H,(H,25,26)(H,27,28)/b19-13-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus				Bioorg Med Chem Lett 15: 2812-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.106 BindingDB Entry DOI: 10.7270/Q26M36C7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50166407 ((Z)-2-Benzoylamino-3-[4-(2-bromo-6-fluoro-phenoxy)...) Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2c(F)cccc2Br)cc1 Show InChI InChI=1S/C22H15BrFNO4/c23-17-7-4-8-18(24)20(17)29-16-11-9-14(10-12-16)13-19(22(27)28)25-21(26)15-5-2-1-3-6-15/h1-13H,(H,25,26)(H,27,28)/b19-13-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus NS5B polymerase				Bioorg Med Chem Lett 15: 2481-6 (2005) Article DOI: 10.1016/j.bmcl.2005.03.066 BindingDB Entry DOI: 10.7270/Q2VH5NC7
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against L100I mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50166360 ((Z)-2-Benzoylamino-3-[4-(2-iodo-phenoxy)-phenyl]-a...) Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2ccccc2I)cc1 Show InChI InChI=1S/C22H16INO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus NS5B polymerase				Bioorg Med Chem Lett 15: 2481-6 (2005) Article DOI: 10.1016/j.bmcl.2005.03.066 BindingDB Entry DOI: 10.7270/Q2VH5NC7
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064009 (6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...) Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against E233V mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064009 (6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...) Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against L100I mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066930 (6-Chloro-2-(3-methyl-benzylsulfanyl)-pyrimidin-4-y...) Show SMILES Cc1cccc(CSc2nc(N)cc(Cl)n2)c1 Show InChI InChI=1S/C12H12ClN3S/c1-8-3-2-4-9(5-8)7-17-12-15-10(13)6-11(14)16-12/h2-6H,7H2,1H3,(H2,14,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066931 ((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...) Show SMILES CCN(CC)C(=O)\C=C\CSc1nc(N)cc(Cl)n1 Show InChI InChI=1S/C12H17ClN4OS/c1-3-17(4-2)11(18)6-5-7-19-12-15-9(13)8-10(14)16-12/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16)/b6-5+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50167658 ((Z)-3-[4-(2-Bromo-phenoxy)-phenyl]-2-(2-ethyl-benz...) Show SMILES CCc1ccccc1C(=O)N\C(=C/c1ccc(Oc2ccccc2Br)cc1)C(O)=O Show InChI InChI=1S/C24H20BrNO4/c1-2-17-7-3-4-8-19(17)23(27)26-21(24(28)29)15-16-11-13-18(14-12-16)30-22-10-6-5-9-20(22)25/h3-15H,2H2,1H3,(H,26,27)(H,28,29)/b21-15-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus				Bioorg Med Chem Lett 15: 2812-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.106 BindingDB Entry DOI: 10.7270/Q26M36C7
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064009 (6-Chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfany...) Show SMILES CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against Y188H mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066931 ((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...) Show SMILES CCN(CC)C(=O)\C=C\CSc1nc(N)cc(Cl)n1 Show InChI InChI=1S/C12H17ClN4OS/c1-3-17(4-2)11(18)6-5-7-19-12-15-9(13)8-10(14)16-12/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16)/b6-5+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50167655 (CHEMBL371345 | {(Z)-2-Benzoylamino-3-[4-(2-bromo-p...) Show SMILES OC(=O)CNC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2ccccc2Br)cc1 Show InChI InChI=1S/C24H19BrN2O5/c25-19-8-4-5-9-21(19)32-18-12-10-16(11-13-18)14-20(24(31)26-15-22(28)29)27-23(30)17-6-2-1-3-7-17/h1-14H,15H2,(H,26,31)(H,27,30)(H,28,29)/b20-14-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus				Bioorg Med Chem Lett 15: 2812-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.106 BindingDB Entry DOI: 10.7270/Q26M36C7
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50081628 (CHEMBL336635 | N-(2-{4-[(3-Ethyl-pyridin-2-yl)-met...) Show SMILES CCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C23H29N5O3S/c1-4-16-6-5-11-24-22(16)27(2)19-9-12-28(13-10-19)23(29)21-15-17-14-18(26-32(3,30)31)7-8-20(17)25-21/h5-8,11,14-15,19,25-26H,4,9-10,12-13H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer				J Med Chem 42: 4140-9 (1999) BindingDB Entry DOI: 10.7270/Q2000192
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066932 (6-Chloro-2-(3,4-dichloro-benzylsulfanyl)-pyrimidin...) Show SMILES Nc1cc(Cl)nc(SCc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C11H8Cl3N3S/c12-7-2-1-6(3-8(7)13)5-18-11-16-9(14)4-10(15)17-11/h1-4H,5H2,(H2,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066937 ((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...) Show SMILES CN(C)C(=O)\C=C\CSc1nc(N)cc(Cl)n1 Show InChI InChI=1S/C10H13ClN4OS/c1-15(2)9(16)4-3-5-17-10-13-7(11)6-8(12)14-10/h3-4,6H,5H2,1-2H3,(H2,12,13,14)/b4-3+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066934 (6-Chloro-2-((E)-3-phenyl-allylsulfanyl)-pyrimidin-...) Show SMILES Nc1cc(Cl)nc(SC\C=C\c2ccccc2)n1 Show InChI InChI=1S/C13H12ClN3S/c14-11-9-12(15)17-13(16-11)18-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2,(H2,15,16,17)/b7-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50167633 ((Z)-2-[(Adamantane-1-carbonyl)-amino]-3-[4-(2-brom...) Show SMILES OC(=O)C(\NC(=O)C12CC3CC(CC(C3)C1)C2)=C\c1ccc(Oc2ccccc2Br)cc1 |TLB:14:9:16:15.13.12,14:13:16:8.9.10,THB:12:13:8:16.11.10,12:11:8:15.13.14| Show InChI InChI=1S/C26H26BrNO4/c27-21-3-1-2-4-23(21)32-20-7-5-16(6-8-20)12-22(24(29)30)28-25(31)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,12,17-19H,9-11,13-15H2,(H,28,31)(H,29,30)/b22-12-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus				Bioorg Med Chem Lett 15: 2812-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.106 BindingDB Entry DOI: 10.7270/Q26M36C7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50166374 ((Z)-2-Benzoylamino-3-[4-(2-chloro-6-fluoro-phenoxy...) Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2c(F)cccc2Cl)cc1 Show InChI InChI=1S/C22H15ClFNO4/c23-17-7-4-8-18(24)20(17)29-16-11-9-14(10-12-16)13-19(22(27)28)25-21(26)15-5-2-1-3-6-15/h1-13H,(H,25,26)(H,27,28)/b19-13-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus NS5B polymerase				Bioorg Med Chem Lett 15: 2481-6 (2005) Article DOI: 10.1016/j.bmcl.2005.03.066 BindingDB Entry DOI: 10.7270/Q2VH5NC7
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064007 (6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANY...) Show SMILES C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against Y188H mutant HIV-1 reverse transcriptase				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair				3D Structure (crystal)
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50167652 ((Z)-3-[4-(2-Bromo-phenoxy)-phenyl]-2-(2-hydroxy-be...) Show SMILES OC(=O)C(\NC(=O)c1ccccc1O)=C\c1ccc(Oc2ccccc2Br)cc1 Show InChI InChI=1S/C22H16BrNO5/c23-17-6-2-4-8-20(17)29-15-11-9-14(10-12-15)13-18(22(27)28)24-21(26)16-5-1-3-7-19(16)25/h1-13,25H,(H,24,26)(H,27,28)/b18-13-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus				Bioorg Med Chem Lett 15: 2812-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.106 BindingDB Entry DOI: 10.7270/Q26M36C7
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066924 (6-Chloro-2-(6-chloro-benzo[1,3]dioxol-5-ylmethylsu...) Show SMILES Nc1cc(Cl)nc(SCc2cc3OCOc3cc2Cl)n1 Show InChI InChI=1S/C12H9Cl2N3O2S/c13-7-2-9-8(18-5-19-9)1-6(7)4-20-12-16-10(14)3-11(15)17-12/h1-3H,4-5H2,(H2,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description inhibitory activity against HIV-1 reverse transcriptase (wild type				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50064008 (6-Chloro-2-((R)-1-furo[2,3-c]pyridin-5-yl-ethylsul...) Show SMILES C[C@@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 Show InChI InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)				J Med Chem 41: 1357-60 (1998) Article DOI: 10.1021/jm9801049 BindingDB Entry DOI: 10.7270/Q2DJ5DS1
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50167672 ((Z)-3-[4-(2-Bromo-phenoxy)-phenyl]-2-(3-fluoro-ben...) Show SMILES OC(=O)C(\NC(=O)c1cccc(F)c1)=C\c1ccc(Oc2ccccc2Br)cc1 Show InChI InChI=1S/C22H15BrFNO4/c23-18-6-1-2-7-20(18)29-17-10-8-14(9-11-17)12-19(22(27)28)25-21(26)15-4-3-5-16(24)13-15/h1-13H,(H,25,26)(H,27,28)/b19-12-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus				Bioorg Med Chem Lett 15: 2812-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.106 BindingDB Entry DOI: 10.7270/Q26M36C7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1954 ((Alkylamino)piperidine BHAP Analog 10 | 1-[(5-Meth...) Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC1CC1 Show InChI InChI=1S/C24H30N6O3S/c1-29(23-21(4-3-11-25-23)26-17-5-6-17)19-9-12-30(13-10-19)24(31)22-15-16-14-18(28-34(2,32)33)7-8-20(16)27-22/h3-4,7-8,11,14-15,17,19,26-28H,5-6,9-10,12-13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	8.3	28
Upjohn					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 39: 3769-89 (1996) Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50081631 (CHEMBL336807 | N-(2-{4-[Ethyl-(3-ethyl-pyridin-2-y...) Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC Show InChI InChI=1S/C24H31N5O3S/c1-4-17-7-6-12-25-23(17)29(5-2)20-10-13-28(14-11-20)24(30)22-16-18-15-19(27-33(3,31)32)8-9-21(18)26-22/h6-9,12,15-16,20,26-27H,4-5,10-11,13-14H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer				J Med Chem 42: 4140-9 (1999) BindingDB Entry DOI: 10.7270/Q2000192
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50166405 ((Z)-2-Benzoylamino-3-[4-(2-bromo-phenoxy)-phenyl]-...) Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2ccccc2Br)cc1 Show InChI InChI=1S/C22H16BrNO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus				Bioorg Med Chem Lett 15: 2812-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.106 BindingDB Entry DOI: 10.7270/Q26M36C7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50167626 ((Z)-2-[(Bicyclo[2.2.1]heptane-2-carbonyl)-amino]-3...) Show SMILES OC(=O)C(\NC(=O)C1CC2CCC1C2)=C\c1ccc(Oc2ccccc2Br)cc1 Show InChI InChI=1S/C23H22BrNO4/c24-19-3-1-2-4-21(19)29-17-9-6-14(7-10-17)13-20(23(27)28)25-22(26)18-12-15-5-8-16(18)11-15/h1-4,6-7,9-10,13,15-16,18H,5,8,11-12H2,(H,25,26)(H,27,28)/b20-13-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus				Bioorg Med Chem Lett 15: 2812-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.106 BindingDB Entry DOI: 10.7270/Q26M36C7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50166405 ((Z)-2-Benzoylamino-3-[4-(2-bromo-phenoxy)-phenyl]-...) Show SMILES OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(Oc2ccccc2Br)cc1 Show InChI InChI=1S/C22H16BrNO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against Hepatitis C virus NS5B polymerase				Bioorg Med Chem Lett 15: 2481-6 (2005) Article DOI: 10.1016/j.bmcl.2005.03.066 BindingDB Entry DOI: 10.7270/Q2VH5NC7
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50167628 ((Z)-3-[4-(2-Bromo-phenoxy)-phenyl]-2-(4-chloro-ben...) Show SMILES OC(=O)C(\NC(=O)c1ccc(Cl)cc1)=C\c1ccc(Oc2ccccc2Br)cc1 Show InChI InChI=1S/C22H15BrClNO4/c23-18-3-1-2-4-20(18)29-17-11-5-14(6-12-17)13-19(22(27)28)25-21(26)15-7-9-16(24)10-8-15/h1-13H,(H,25,26)(H,27,28)/b19-13-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus				Bioorg Med Chem Lett 15: 2812-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.106 BindingDB Entry DOI: 10.7270/Q26M36C7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,P823L]/[588-1147,P823L] (Human immunodeficiency virus type 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/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 39: 3769-89 (1996) Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50167642 ((Z)-2-(4-Bromo-benzoylamino)-3-[4-(2-bromo-phenoxy...) Show SMILES OC(=O)C(\NC(=O)c1ccc(Br)cc1)=C\c1ccc(Oc2ccccc2Br)cc1 Show InChI InChI=1S/C22H15Br2NO4/c23-16-9-7-15(8-10-16)21(26)25-19(22(27)28)13-14-5-11-17(12-6-14)29-20-4-2-1-3-18(20)24/h1-13H,(H,25,26)(H,27,28)/b19-13-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus				Bioorg Med Chem Lett 15: 2812-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.106 BindingDB Entry DOI: 10.7270/Q26M36C7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1966 ((Alkylamino)piperidine BHAP Analog 22 | 1-[(5-Meth...) Show SMILES CCCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C25H34N6O3S/c1-4-12-26-22-7-6-13-27-24(22)31(5-2)20-10-14-30(15-11-20)25(32)23-17-18-16-19(29-35(3,33)34)8-9-21(18)28-23/h6-9,13,16-17,20,26,28-29H,4-5,10-12,14-15H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	8.3	28
Upjohn					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 39: 3769-89 (1996) Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50081622 (CHEMBL132770 | N-(2-{4-[(3-Ethyl-pyridin-2-yl)-pro...) Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1CC Show InChI InChI=1S/C25H33N5O3S/c1-4-13-30(24-18(5-2)7-6-12-26-24)21-10-14-29(15-11-21)25(31)23-17-19-16-20(28-34(3,32)33)8-9-22(19)27-23/h6-9,12,16-17,21,27-28H,4-5,10-11,13-15H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer				J Med Chem 42: 4140-9 (1999) BindingDB Entry DOI: 10.7270/Q2000192
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50081625 (CHEMBL134106 | N-(2-{4-[Ethyl-(3-methoxymethyl-pyr...) Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1COC Show InChI InChI=1S/C24H31N5O4S/c1-4-29(23-17(16-33-2)6-5-11-25-23)20-9-12-28(13-10-20)24(30)22-15-18-14-19(27-34(3,31)32)7-8-21(18)26-22/h5-8,11,14-15,20,26-27H,4,9-10,12-13,16H2,1-3H3	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
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer				J Med Chem 42: 4140-9 (1999) BindingDB Entry DOI: 10.7270/Q2000192
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1967 ((Alkylamino)piperidine BHAP Analog 23 | 1-[[5-[[(4...) Show SMILES CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1 Show InChI InChI=1S/C29H40N8O2/c1-4-30-25-7-6-12-31-27(25)37(5-2)23-10-13-35(14-11-23)28(38)26-20-21-19-22(8-9-24(21)33-26)32-29(39)36-17-15-34(3)16-18-36/h6-9,12,19-20,23,30,33H,4-5,10-11,13-18H2,1-3H3,(H,32,39)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	8.3	28
Upjohn					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 39: 3769-89 (1996) Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50081624 (CHEMBL132491 | N-(2-{4-[(3-Methoxymethyl-pyridin-2...) Show SMILES COCc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C23H29N5O4S/c1-27(22-16(15-32-2)5-4-10-24-22)19-8-11-28(12-9-19)23(29)21-14-17-13-18(26-33(3,30)31)6-7-20(17)25-21/h4-7,10,13-14,19,25-26H,8-9,11-12,15H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer				J Med Chem 42: 4140-9 (1999) BindingDB Entry DOI: 10.7270/Q2000192
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066936 (2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-yl...) Show SMILES Nc1cc(Cl)nc(SCc2cccc(Br)c2)n1 Show InChI InChI=1S/C11H9BrClN3S/c12-8-3-1-2-7(4-8)6-17-11-15-9(13)5-10(14)16-11/h1-5H,6H2,(H2,14,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1969 ((Alkylamino)piperidine BHAP Analog 25 | 1-[[5-[[(4...) Show SMILES CCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)C Show InChI InChI=1S/C30H42N8O2/c1-5-38(28-26(32-21(2)3)7-6-12-31-28)24-10-13-36(14-11-24)29(39)27-20-22-19-23(8-9-25(22)34-27)33-30(40)37-17-15-35(4)16-18-37/h6-9,12,19-21,24,32,34H,5,10-11,13-18H2,1-4H3,(H,33,40)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	8.3	28
Upjohn					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 39: 3769-89 (1996) Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066927 (6-Chloro-2-(naphthalen-2-ylmethylsulfanyl)-pyrimid...) Show SMILES Nc1cc(Cl)nc(SCc2ccc3ccccc3c2)n1 Show InChI InChI=1S/C15H12ClN3S/c16-13-8-14(17)19-15(18-13)20-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H2,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1964 ((Alkylamino)piperidine BHAP Analog 20 | N-{2-[(4-{...) Show SMILES CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NCC Show InChI InChI=1S/C25H34N6O3S/c1-4-13-31(24-22(26-5-2)7-6-12-27-24)20-10-14-30(15-11-20)25(32)23-17-18-16-19(29-35(3,33)34)8-9-21(18)28-23/h6-9,12,16-17,20,26,28-29H,4-5,10-11,13-15H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	8.3	28
Upjohn					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 39: 3769-89 (1996) Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1955 ((Alkylamino)piperidine BHAP Analog 11 | 1-[(5-Meth...) Show SMILES CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC1(C)CC1 Show InChI InChI=1S/C25H32N6O3S/c1-25(10-11-25)28-21-5-4-12-26-23(21)30(2)19-8-13-31(14-9-19)24(32)22-16-17-15-18(29-35(3,33)34)6-7-20(17)27-22/h4-7,12,15-16,19,27-29H,8-11,13-14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	8.3	28
Upjohn					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 39: 3769-89 (1996) Article DOI: 10.1021/jm960158n BindingDB Entry DOI: 10.7270/Q2XK8CQV
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50066925 (6-Chloro-2-(3-methoxy-benzylsulfanyl)-pyrimidin-4-...) Show SMILES COc1cccc(CSc2nc(N)cc(Cl)n2)c1 Show InChI InChI=1S/C12H12ClN3OS/c1-17-9-4-2-3-8(5-9)7-18-12-15-10(13)6-11(14)16-12/h2-6H,7H2,1H3,(H2,14,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase (P236L)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1944 (BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3	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 Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase (wild type)				J Med Chem 41: 3793-803 (1998) Article DOI: 10.1021/jm9800806 BindingDB Entry DOI: 10.7270/Q2JS9PKT
					More data for this Ligand-Target Pair				3D Structure (crystal)

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