Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50004444   

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)	BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	6.71E+4	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of dTMP by burst assay using RNA/DNA Pri...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/AAC.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.44E+5	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of dTMP by burst assay usin...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/AAC.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	6.05E+5	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of d4TMP by burst assay usi...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/AAC.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	4.08E+4	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of d4TMP by burst assay using RNA/DNA Pr...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/AAC.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50483018 (CHEMBL485651) Show SMILES Cc1cn([C@@H]2O[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C2)C#C)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C12H15N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h1,4-6,9H,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.68E+5	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of 4-EdTMP by burst assay u...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/AAC.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50483018 (CHEMBL485651) Show SMILES Cc1cn([C@@H]2O[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C2)C#C)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C12H15N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h1,4-6,9H,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of 4-EdTMP by burst assay using DNA/DNA ...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/AAC.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.32E+4	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of dTMP by burst assay usin...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/AAC.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of d4TMP by burst assay using DNA/DNA Pr...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/AAC.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	2.32E+5	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of d4TMP by burst assay usi...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/AAC.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50483018 (CHEMBL485651) Show SMILES Cc1cn([C@@H]2O[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C2)C#C)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C12H15N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h1,4-6,9H,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.34E+4	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of 4-EdTMP by burst assay u...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/AAC.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50164648 (2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of dTMP by burst assay using DNA/DNA Pri...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/AAC.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50483018 (CHEMBL485651) Show SMILES Cc1cn([C@@H]2O[C@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C=C2)C#C)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C12H15N2O13P3/c1-3-12(7-24-29(20,21)27-30(22,23)26-28(17,18)19)5-4-9(25-12)14-6-8(2)10(15)13-11(14)16/h1,4-6,9H,7H2,2H3,(H,20,21)(H,22,23)(H,13,15,16)(H2,17,18,19)/t9-,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of 4-EdTMP by burst assay using RNA/DNA ...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/AAC.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair