Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'nettles' and Initial = 'jh'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532854 (CHEMBL4588569) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1c(F)cccc1F |(64.49,-40.46,;65.82,-39.68,;64.89,-38.49,;66.31,-41.17,;67.81,-41.5,;68.03,-43.03,;68.84,-40.35,;68.36,-38.89,;66.86,-38.57,;69.39,-37.75,;70.89,-38.06,;72.13,-37.16,;72.13,-35.62,;70.8,-34.84,;70.8,-33.3,;69.46,-32.54,;68.13,-33.31,;68.13,-34.86,;69.47,-35.62,;73.38,-38.06,;72.9,-39.53,;73.81,-40.78,;74.71,-42.03,;71.36,-39.53,;70.34,-40.66,;71.1,-43.01,;72.61,-43.32,;73.64,-42.17,;73.09,-44.79,;72.06,-45.94,;70.55,-45.62,;70.08,-44.12,;68.57,-43.77,)| Show InChI InChI=1S/C27H21F2N3O/c1-27(2)11-20-24(21(33)12-27)25(23-18(28)9-6-10-19(23)29)22-17(13-30)15-32(26(22)31-20)14-16-7-4-3-5-8-16/h3-10,15H,11-12,14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532854 (CHEMBL4588569) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1c(F)cccc1F |(64.49,-40.46,;65.82,-39.68,;64.89,-38.49,;66.31,-41.17,;67.81,-41.5,;68.03,-43.03,;68.84,-40.35,;68.36,-38.89,;66.86,-38.57,;69.39,-37.75,;70.89,-38.06,;72.13,-37.16,;72.13,-35.62,;70.8,-34.84,;70.8,-33.3,;69.46,-32.54,;68.13,-33.31,;68.13,-34.86,;69.47,-35.62,;73.38,-38.06,;72.9,-39.53,;73.81,-40.78,;74.71,-42.03,;71.36,-39.53,;70.34,-40.66,;71.1,-43.01,;72.61,-43.32,;73.64,-42.17,;73.09,-44.79,;72.06,-45.94,;70.55,-45.62,;70.08,-44.12,;68.57,-43.77,)| Show InChI InChI=1S/C27H21F2N3O/c1-27(2)11-20-24(21(33)12-27)25(23-18(28)9-6-10-19(23)29)22-17(13-30)15-32(26(22)31-20)14-16-7-4-3-5-8-16/h3-10,15H,11-12,14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532843 (CHEMBL4545462) Show SMILES CCCCn1cc(C#N)c2c(c3C(=O)c4ccccc4-c3nc12)-c1ccc(cc1F)C(F)(F)F |(40.53,-30.12,;39.2,-30.9,;39.2,-32.44,;37.86,-33.22,;37.87,-34.76,;39.12,-35.67,;38.64,-37.14,;39.55,-38.38,;40.45,-39.63,;37.1,-37.14,;36.07,-38.27,;34.57,-37.96,;33.33,-38.87,;33.34,-40.41,;32.08,-37.97,;30.59,-38.29,;29.55,-37.16,;30.02,-35.69,;31.52,-35.37,;32.55,-36.5,;34.09,-36.5,;35.12,-35.35,;36.62,-35.67,;36.55,-39.74,;38.05,-40.05,;38.54,-41.51,;37.51,-42.67,;36,-42.35,;35.52,-40.88,;33.97,-40.88,;37.99,-44.13,;36.96,-45.28,;39.5,-44.45,;38.38,-45.62,)| Show InChI InChI=1S/C26H17F4N3O/c1-2-3-10-33-13-14(12-31)20-21(18-9-8-15(11-19(18)27)26(28,29)30)22-23(32-25(20)33)16-6-4-5-7-17(16)24(22)34/h4-9,11,13H,2-3,10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532843 (CHEMBL4545462) Show SMILES CCCCn1cc(C#N)c2c(c3C(=O)c4ccccc4-c3nc12)-c1ccc(cc1F)C(F)(F)F |(40.53,-30.12,;39.2,-30.9,;39.2,-32.44,;37.86,-33.22,;37.87,-34.76,;39.12,-35.67,;38.64,-37.14,;39.55,-38.38,;40.45,-39.63,;37.1,-37.14,;36.07,-38.27,;34.57,-37.96,;33.33,-38.87,;33.34,-40.41,;32.08,-37.97,;30.59,-38.29,;29.55,-37.16,;30.02,-35.69,;31.52,-35.37,;32.55,-36.5,;34.09,-36.5,;35.12,-35.35,;36.62,-35.67,;36.55,-39.74,;38.05,-40.05,;38.54,-41.51,;37.51,-42.67,;36,-42.35,;35.52,-40.88,;33.97,-40.88,;37.99,-44.13,;36.96,-45.28,;39.5,-44.45,;38.38,-45.62,)| Show InChI InChI=1S/C26H17F4N3O/c1-2-3-10-33-13-14(12-31)20-21(18-9-8-15(11-19(18)27)26(28,29)30)22-23(32-25(20)33)16-6-4-5-7-17(16)24(22)34/h4-9,11,13H,2-3,10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532847 (CHEMBL4529463) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccccc1 Show InChI InChI=1S/C27H23N3O/c1-27(2)13-21-25(22(31)14-27)23(19-11-7-4-8-12-19)24-20(15-28)17-30(26(24)29-21)16-18-9-5-3-6-10-18/h3-12,17H,13-14,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532847 (CHEMBL4529463) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccccc1 Show InChI InChI=1S/C27H23N3O/c1-27(2)13-21-25(22(31)14-27)23(19-11-7-4-8-12-19)24-20(15-28)17-30(26(24)29-21)16-18-9-5-3-6-10-18/h3-12,17H,13-14,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532847 (CHEMBL4529463) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccccc1 Show InChI InChI=1S/C27H23N3O/c1-27(2)13-21-25(22(31)14-27)23(19-11-7-4-8-12-19)24-20(15-28)17-30(26(24)29-21)16-18-9-5-3-6-10-18/h3-12,17H,13-14,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using A5'-end 32P-labeled 24-mer primer/a48-mer template preincubated for 5 mins followed by 25 uM nucleotides addition measure...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532847 (CHEMBL4529463) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccccc1 Show InChI InChI=1S/C27H23N3O/c1-27(2)13-21-25(22(31)14-27)23(19-11-7-4-8-12-19)24-20(15-28)17-30(26(24)29-21)16-18-9-5-3-6-10-18/h3-12,17H,13-14,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using A5'-end 32P-labeled 24-mer primer/a48-mer template preincubated for 5 mins followed by 25 uM nucleotides addition measure...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532847 (CHEMBL4529463) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccccc1 Show InChI InChI=1S/C27H23N3O/c1-27(2)13-21-25(22(31)14-27)23(19-11-7-4-8-12-19)24-20(15-28)17-30(26(24)29-21)16-18-9-5-3-6-10-18/h3-12,17H,13-14,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using A5'-end 32P-labeled 24-mer primer/a48-mer template preincubated for 5 mins followed by 10 uM nucleotides addition measure...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532847 (CHEMBL4529463) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccccc1 Show InChI InChI=1S/C27H23N3O/c1-27(2)13-21-25(22(31)14-27)23(19-11-7-4-8-12-19)24-20(15-28)17-30(26(24)29-21)16-18-9-5-3-6-10-18/h3-12,17H,13-14,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using A5'-end 32P-labeled 24-mer primer/a48-mer template preincubated for 5 mins followed by 10 uM nucleotides addition measure...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532846 (CHEMBL4533325) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C27H22N4O3/c1-27(2)12-21-25(22(32)13-27)23(18-8-10-20(11-9-18)31(33)34)24-19(14-28)16-30(26(24)29-21)15-17-6-4-3-5-7-17/h3-11,16H,12-13,15H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532846 (CHEMBL4533325) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C27H22N4O3/c1-27(2)12-21-25(22(32)13-27)23(18-8-10-20(11-9-18)31(33)34)24-19(14-28)16-30(26(24)29-21)15-17-6-4-3-5-7-17/h3-11,16H,12-13,15H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50432235 (CHEMBL2347323) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(Br)[nH]1)-c1ccc(cc1)N=[N+]=[N-] |r| Show InChI InChI=1S/C20H24BrN7O3/c1-11(2)15(24-20(30)31-3)19(29)28-10-4-5-14(28)18-23-16(17(21)25-18)12-6-8-13(9-7-12)26-27-22/h6-9,11,14-15H,4-5,10H2,1-3H3,(H,23,25)(H,24,30)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 23: 2031-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.023 BindingDB Entry DOI: 10.7270/Q2833TDK
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532849 (CHEMBL4592520) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccc(F)cc1 Show InChI InChI=1S/C27H22FN3O/c1-27(2)12-21-25(22(32)13-27)23(18-8-10-20(28)11-9-18)24-19(14-29)16-31(26(24)30-21)15-17-6-4-3-5-7-17/h3-11,16H,12-13,15H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532849 (CHEMBL4592520) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccc(F)cc1 Show InChI InChI=1S/C27H22FN3O/c1-27(2)12-21-25(22(32)13-27)23(18-8-10-20(28)11-9-18)24-19(14-29)16-31(26(24)30-21)15-17-6-4-3-5-7-17/h3-11,16H,12-13,15H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532847 (CHEMBL4529463) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccccc1 Show InChI InChI=1S/C27H23N3O/c1-27(2)13-21-25(22(31)14-27)23(19-11-7-4-8-12-19)24-20(15-28)17-30(26(24)29-21)16-18-9-5-3-6-10-18/h3-12,17H,13-14,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT Y181C mutant using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincub...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532847 (CHEMBL4529463) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccccc1 Show InChI InChI=1S/C27H23N3O/c1-27(2)13-21-25(22(31)14-27)23(19-11-7-4-8-12-19)24-20(15-28)17-30(26(24)29-21)16-18-9-5-3-6-10-18/h3-12,17H,13-14,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT Y181C mutant using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincub...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50432236 (CHEMBL2347159) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)N=[N+]=[N-] |r| Show InChI InChI=1S/C20H25N7O3/c1-12(2)17(24-20(29)30-3)19(28)27-10-4-5-16(27)18-22-11-15(23-18)13-6-8-14(9-7-13)25-26-21/h6-9,11-12,16-17H,4-5,10H2,1-3H3,(H,22,23)(H,24,29)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 23: 2031-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.023 BindingDB Entry DOI: 10.7270/Q2833TDK
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532848 (CHEMBL4443785) Show SMILES CC(=O)c1c(C)nc2n(Cc3ccccc3)cc(C#N)c2c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H18N4O3/c1-15-21(16(2)29)22(18-8-10-20(11-9-18)28(30)31)23-19(12-25)14-27(24(23)26-15)13-17-6-4-3-5-7-17/h3-11,14H,13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532848 (CHEMBL4443785) Show SMILES CC(=O)c1c(C)nc2n(Cc3ccccc3)cc(C#N)c2c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H18N4O3/c1-15-21(16(2)29)22(18-8-10-20(11-9-18)28(30)31)23-19(12-25)14-27(24(23)26-15)13-17-6-4-3-5-7-17/h3-11,14H,13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50432234 (CHEMBL2347328) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H29F3N4O3/c1-16(2)23(33-26(36)37-3)25(35)34-14-4-5-22(34)24-31-15-21(32-24)19-8-6-17(7-9-19)18-10-12-20(13-11-18)27(28,29)30/h6-13,15-16,22-23H,4-5,14H2,1-3H3,(H,31,32)(H,33,36)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 23: 2031-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.023 BindingDB Entry DOI: 10.7270/Q2833TDK
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532854 (CHEMBL4588569) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1c(F)cccc1F |(64.49,-40.46,;65.82,-39.68,;64.89,-38.49,;66.31,-41.17,;67.81,-41.5,;68.03,-43.03,;68.84,-40.35,;68.36,-38.89,;66.86,-38.57,;69.39,-37.75,;70.89,-38.06,;72.13,-37.16,;72.13,-35.62,;70.8,-34.84,;70.8,-33.3,;69.46,-32.54,;68.13,-33.31,;68.13,-34.86,;69.47,-35.62,;73.38,-38.06,;72.9,-39.53,;73.81,-40.78,;74.71,-42.03,;71.36,-39.53,;70.34,-40.66,;71.1,-43.01,;72.61,-43.32,;73.64,-42.17,;73.09,-44.79,;72.06,-45.94,;70.55,-45.62,;70.08,-44.12,;68.57,-43.77,)| Show InChI InChI=1S/C27H21F2N3O/c1-27(2)11-20-24(21(33)12-27)25(23-18(28)9-6-10-19(23)29)22-17(13-30)15-32(26(22)31-20)14-16-7-4-3-5-8-16/h3-10,15H,11-12,14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT Y181C mutant using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincub...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532854 (CHEMBL4588569) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1c(F)cccc1F |(64.49,-40.46,;65.82,-39.68,;64.89,-38.49,;66.31,-41.17,;67.81,-41.5,;68.03,-43.03,;68.84,-40.35,;68.36,-38.89,;66.86,-38.57,;69.39,-37.75,;70.89,-38.06,;72.13,-37.16,;72.13,-35.62,;70.8,-34.84,;70.8,-33.3,;69.46,-32.54,;68.13,-33.31,;68.13,-34.86,;69.47,-35.62,;73.38,-38.06,;72.9,-39.53,;73.81,-40.78,;74.71,-42.03,;71.36,-39.53,;70.34,-40.66,;71.1,-43.01,;72.61,-43.32,;73.64,-42.17,;73.09,-44.79,;72.06,-45.94,;70.55,-45.62,;70.08,-44.12,;68.57,-43.77,)| Show InChI InChI=1S/C27H21F2N3O/c1-27(2)11-20-24(21(33)12-27)25(23-18(28)9-6-10-19(23)29)22-17(13-30)15-32(26(22)31-20)14-16-7-4-3-5-8-16/h3-10,15H,11-12,14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT Y181C mutant using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincub...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50432233 (CHEMBL2347337) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(CO)cc1 |r| Show InChI InChI=1S/C27H32N4O4/c1-17(2)24(30-27(34)35-3)26(33)31-14-4-5-23(31)25-28-15-22(29-25)21-12-10-20(11-13-21)19-8-6-18(16-32)7-9-19/h6-13,15,17,23-24,32H,4-5,14,16H2,1-3H3,(H,28,29)(H,30,34)/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 23: 2031-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.023 BindingDB Entry DOI: 10.7270/Q2833TDK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50387084 (BMS-790052 | DACLATASVIR) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 23: 2031-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.023 BindingDB Entry DOI: 10.7270/Q2833TDK
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532847 (CHEMBL4529463) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccccc1 Show InChI InChI=1S/C27H23N3O/c1-27(2)13-21-25(22(31)14-27)23(19-11-7-4-8-12-19)24-20(15-28)17-30(26(24)29-21)16-18-9-5-3-6-10-18/h3-12,17H,13-14,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using A5'-end 32P-labeled 24-mer primer/a48-mer template preincubated for 5 mins followed by 1 uM nucleotides addition measured...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532847 (CHEMBL4529463) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccccc1 Show InChI InChI=1S/C27H23N3O/c1-27(2)13-21-25(22(31)14-27)23(19-11-7-4-8-12-19)24-20(15-28)17-30(26(24)29-21)16-18-9-5-3-6-10-18/h3-12,17H,13-14,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using A5'-end 32P-labeled 24-mer primer/a48-mer template preincubated for 5 mins followed by 1 uM nucleotides addition measured...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50432234 (CHEMBL2347328) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H29F3N4O3/c1-16(2)23(33-26(36)37-3)25(35)34-14-4-5-22(34)24-31-15-21(32-24)19-8-6-17(7-9-19)18-10-12-20(13-11-18)27(28,29)30/h6-13,15-16,22-23H,4-5,14H2,1-3H3,(H,31,32)(H,33,36)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 23: 2031-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.023 BindingDB Entry DOI: 10.7270/Q2833TDK
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532847 (CHEMBL4529463) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccccc1 Show InChI InChI=1S/C27H23N3O/c1-27(2)13-21-25(22(31)14-27)23(19-11-7-4-8-12-19)24-20(15-28)17-30(26(24)29-21)16-18-9-5-3-6-10-18/h3-12,17H,13-14,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT K103N mutant using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincub...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532847 (CHEMBL4529463) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccccc1 Show InChI InChI=1S/C27H23N3O/c1-27(2)13-21-25(22(31)14-27)23(19-11-7-4-8-12-19)24-20(15-28)17-30(26(24)29-21)16-18-9-5-3-6-10-18/h3-12,17H,13-14,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT K103N mutant using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincub...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532847 (CHEMBL4529463) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccccc1 Show InChI InChI=1S/C27H23N3O/c1-27(2)13-21-25(22(31)14-27)23(19-11-7-4-8-12-19)24-20(15-28)17-30(26(24)29-21)16-18-9-5-3-6-10-18/h3-12,17H,13-14,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using A5'-end 32P-labeled 24-mer primer/a48-mer template preincubated for 5 mins followed by 0.5 uM nucleotides addition measur...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532847 (CHEMBL4529463) Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccccc1 Show InChI InChI=1S/C27H23N3O/c1-27(2)13-21-25(22(31)14-27)23(19-11-7-4-8-12-19)24-20(15-28)17-30(26(24)29-21)16-18-9-5-3-6-10-18/h3-12,17H,13-14,16H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using A5'-end 32P-labeled 24-mer primer/a48-mer template preincubated for 5 mins followed by 0.5 uM nucleotides addition measur...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532857 (CHEMBL4459763) Show SMILES CC1(C)CC(=O)c2cc3c(cn(Cc4ccccc4)c3nc2C1)C#N Show InChI InChI=1S/C21H19N3O/c1-21(2)9-18-17(19(25)10-21)8-16-15(11-22)13-24(20(16)23-18)12-14-6-4-3-5-7-14/h3-8,13H,9-10,12H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532857 (CHEMBL4459763) Show SMILES CC1(C)CC(=O)c2cc3c(cn(Cc4ccccc4)c3nc2C1)C#N Show InChI InChI=1S/C21H19N3O/c1-21(2)9-18-17(19(25)10-21)8-16-15(11-22)13-24(20(16)23-18)12-14-6-4-3-5-7-14/h3-8,13H,9-10,12H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532845 (CHEMBL4532532) Show SMILES CC(C)(C)n1cc(C#N)c2cc(C=O)cnc12 Show InChI InChI=1S/C13H13N3O/c1-13(2,3)16-7-10(5-14)11-4-9(8-17)6-15-12(11)16/h4,6-8H,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532845 (CHEMBL4532532) Show SMILES CC(C)(C)n1cc(C#N)c2cc(C=O)cnc12 Show InChI InChI=1S/C13H13N3O/c1-13(2,3)16-7-10(5-14)11-4-9(8-17)6-15-12(11)16/h4,6-8H,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532853 (CHEMBL4475411) Show SMILES CN(C)c1ccc(cc1)-c1c2C(=O)c3ccccc3-c2nc2[nH]c(cc12)C(C)=O Show InChI InChI=1S/C24H19N3O2/c1-13(28)19-12-18-20(14-8-10-15(11-9-14)27(2)3)21-22(26-24(18)25-19)16-6-4-5-7-17(16)23(21)29/h4-12H,1-3H3,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532848 (CHEMBL4443785) Show SMILES CC(=O)c1c(C)nc2n(Cc3ccccc3)cc(C#N)c2c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H18N4O3/c1-15-21(16(2)29)22(18-8-10-20(11-9-18)28(30)31)23-19(12-25)14-27(24(23)26-15)13-17-6-4-3-5-7-17/h3-11,14H,13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT K103N mutant using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincub...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532853 (CHEMBL4475411) Show SMILES CN(C)c1ccc(cc1)-c1c2C(=O)c3ccccc3-c2nc2[nH]c(cc12)C(C)=O Show InChI InChI=1S/C24H19N3O2/c1-13(28)19-12-18-20(14-8-10-15(11-9-14)27(2)3)21-22(26-24(18)25-19)16-6-4-5-7-17(16)23(21)29/h4-12H,1-3H3,(H,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532848 (CHEMBL4443785) Show SMILES CC(=O)c1c(C)nc2n(Cc3ccccc3)cc(C#N)c2c1-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H18N4O3/c1-15-21(16(2)29)22(18-8-10-20(11-9-18)28(30)31)23-19(12-25)14-27(24(23)26-15)13-17-6-4-3-5-7-17/h3-11,14H,13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT K103N mutant using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincub...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532856 (CHEMBL4577153) Show SMILES Cc1cccc(C)c1-c1c2C(=O)CC(C)(C)Cc2nc2n(Cc3ccccc3)cc(C#N)c12 |(70.54,-26.87,;70.19,-28.41,;70.66,-29.87,;69.63,-31.02,;68.12,-30.7,;67.65,-29.2,;66.15,-28.85,;68.68,-28.09,;67.91,-25.75,;66.41,-25.44,;65.39,-26.58,;65.61,-28.11,;63.88,-26.25,;63.39,-24.76,;62.06,-25.54,;62.46,-23.57,;64.44,-23.65,;65.93,-23.97,;66.96,-22.83,;68.47,-23.15,;69.7,-22.24,;69.7,-20.7,;68.37,-19.92,;68.37,-18.38,;67.03,-17.62,;65.7,-18.39,;65.71,-19.94,;67.04,-20.7,;70.96,-23.14,;70.48,-24.61,;71.38,-25.86,;72.28,-27.11,;68.94,-24.61,)| Show InChI InChI=1S/C29H27N3O/c1-18-9-8-10-19(2)24(18)27-25-21(15-30)17-32(16-20-11-6-5-7-12-20)28(25)31-22-13-29(3,4)14-23(33)26(22)27/h5-12,17H,13-14,16H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532856 (CHEMBL4577153) Show SMILES Cc1cccc(C)c1-c1c2C(=O)CC(C)(C)Cc2nc2n(Cc3ccccc3)cc(C#N)c12 |(70.54,-26.87,;70.19,-28.41,;70.66,-29.87,;69.63,-31.02,;68.12,-30.7,;67.65,-29.2,;66.15,-28.85,;68.68,-28.09,;67.91,-25.75,;66.41,-25.44,;65.39,-26.58,;65.61,-28.11,;63.88,-26.25,;63.39,-24.76,;62.06,-25.54,;62.46,-23.57,;64.44,-23.65,;65.93,-23.97,;66.96,-22.83,;68.47,-23.15,;69.7,-22.24,;69.7,-20.7,;68.37,-19.92,;68.37,-18.38,;67.03,-17.62,;65.7,-18.39,;65.71,-19.94,;67.04,-20.7,;70.96,-23.14,;70.48,-24.61,;71.38,-25.86,;72.28,-27.11,;68.94,-24.61,)| Show InChI InChI=1S/C29H27N3O/c1-18-9-8-10-19(2)24(18)27-25-21(15-30)17-32(16-20-11-6-5-7-12-20)28(25)31-22-13-29(3,4)14-23(33)26(22)27/h5-12,17H,13-14,16H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532843 (CHEMBL4545462) Show SMILES CCCCn1cc(C#N)c2c(c3C(=O)c4ccccc4-c3nc12)-c1ccc(cc1F)C(F)(F)F |(40.53,-30.12,;39.2,-30.9,;39.2,-32.44,;37.86,-33.22,;37.87,-34.76,;39.12,-35.67,;38.64,-37.14,;39.55,-38.38,;40.45,-39.63,;37.1,-37.14,;36.07,-38.27,;34.57,-37.96,;33.33,-38.87,;33.34,-40.41,;32.08,-37.97,;30.59,-38.29,;29.55,-37.16,;30.02,-35.69,;31.52,-35.37,;32.55,-36.5,;34.09,-36.5,;35.12,-35.35,;36.62,-35.67,;36.55,-39.74,;38.05,-40.05,;38.54,-41.51,;37.51,-42.67,;36,-42.35,;35.52,-40.88,;33.97,-40.88,;37.99,-44.13,;36.96,-45.28,;39.5,-44.45,;38.38,-45.62,)| Show InChI InChI=1S/C26H17F4N3O/c1-2-3-10-33-13-14(12-31)20-21(18-9-8-15(11-19(18)27)26(28,29)30)22-23(32-25(20)33)16-6-4-5-7-17(16)24(22)34/h4-9,11,13H,2-3,10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT K103N mutant using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincub...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50532843 (CHEMBL4545462) Show SMILES CCCCn1cc(C#N)c2c(c3C(=O)c4ccccc4-c3nc12)-c1ccc(cc1F)C(F)(F)F |(40.53,-30.12,;39.2,-30.9,;39.2,-32.44,;37.86,-33.22,;37.87,-34.76,;39.12,-35.67,;38.64,-37.14,;39.55,-38.38,;40.45,-39.63,;37.1,-37.14,;36.07,-38.27,;34.57,-37.96,;33.33,-38.87,;33.34,-40.41,;32.08,-37.97,;30.59,-38.29,;29.55,-37.16,;30.02,-35.69,;31.52,-35.37,;32.55,-36.5,;34.09,-36.5,;35.12,-35.35,;36.62,-35.67,;36.55,-39.74,;38.05,-40.05,;38.54,-41.51,;37.51,-42.67,;36,-42.35,;35.52,-40.88,;33.97,-40.88,;37.99,-44.13,;36.96,-45.28,;39.5,-44.45,;38.38,-45.62,)| Show InChI InChI=1S/C26H17F4N3O/c1-2-3-10-33-13-14(12-31)20-21(18-9-8-15(11-19(18)27)26(28,29)30)22-23(32-25(20)33)16-6-4-5-7-17(16)24(22)34/h4-9,11,13H,2-3,10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT K103N mutant using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincub...				Bioorg Med Chem Lett 26: 4101-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.065 BindingDB Entry DOI: 10.7270/Q27S7S8G
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50432233 (CHEMBL2347337) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(CO)cc1 |r| Show InChI InChI=1S/C27H32N4O4/c1-17(2)24(30-27(34)35-3)26(33)31-14-4-5-23(31)25-28-15-22(29-25)21-12-10-20(11-13-21)19-8-6-18(16-32)7-9-19/h6-13,15,17,23-24,32H,4-5,14,16H2,1-3H3,(H,28,29)(H,30,34)/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 23: 2031-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.023 BindingDB Entry DOI: 10.7270/Q2833TDK
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50432235 (CHEMBL2347323) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(Br)[nH]1)-c1ccc(cc1)N=[N+]=[N-] |r| Show InChI InChI=1S/C20H24BrN7O3/c1-11(2)15(24-20(30)31-3)19(29)28-10-4-5-14(28)18-23-16(17(21)25-18)12-6-8-13(9-7-12)26-27-22/h6-9,11,14-15H,4-5,10H2,1-3H3,(H,23,25)(H,24,30)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 23: 2031-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.023 BindingDB Entry DOI: 10.7270/Q2833TDK
					More data for this Ligand-Target Pair

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