Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50532847'   

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)	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 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	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)	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
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
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)	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	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT E138K using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated fo...				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	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT E138K using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated fo...				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+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT V108I 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+5	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of HIV1 RT V108I 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