Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50008766   

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)	BDBM50521968 (CHEMBL4452475) Show SMILES On1c(=O)[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2c1=O Show InChI InChI=1S/C18H13N3O5S/c22-17-15-10-13(6-8-16(15)19-18(23)21(17)24)20-27(25,26)14-7-5-11-3-1-2-4-12(11)9-14/h1-10,20,24H,(H,19,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521975 (CHEMBL4452099) Show SMILES On1c(=O)[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc2c1=O Show InChI InChI=1S/C14H11N3O5S/c18-13-11-8-9(6-7-12(11)15-14(19)17(13)20)16-23(21,22)10-4-2-1-3-5-10/h1-8,16,20H,(H,15,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM33411 (β-Thujaplicinol | hydroxytropolone, 3) Show SMILES CC(C)c1ccc(O)c(=O)c(O)c1 Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521979 (CHEMBL4577620) Show SMILES On1c(=O)[nH]c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2c1=O Show InChI InChI=1S/C15H10F3N3O5S/c16-15(17,18)8-2-1-3-10(6-8)27(25,26)20-9-4-5-12-11(7-9)13(22)21(24)14(23)19-12/h1-7,20,24H,(H,19,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521967 (CHEMBL4462038) Show SMILES On1c(=O)[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2c1=O Show InChI InChI=1S/C14H10FN3O5S/c15-8-1-4-10(5-2-8)24(22,23)17-9-3-6-12-11(7-9)13(19)18(21)14(20)16-12/h1-7,17,21H,(H,16,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521976 (CHEMBL4546044) Show SMILES On1c(=O)[nH]c2cc(NC(=O)c3ccccc3)ccc2c1=O Show InChI InChI=1S/C15H11N3O4/c19-13(9-4-2-1-3-5-9)16-10-6-7-11-12(8-10)17-15(21)18(22)14(11)20/h1-8,22H,(H,16,19)(H,17,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521970 (CHEMBL4593526) Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc2c(c1)[nH]c(=O)n(O)c2=O Show InChI InChI=1S/C16H13N3O4/c1-9-2-4-10(5-3-9)14(20)17-11-6-7-12-13(8-11)18-16(22)19(23)15(12)21/h2-8,23H,1H3,(H,17,20)(H,18,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521977 (CHEMBL4439898) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc2c(c1)[nH]c(=O)n(O)c2=O Show InChI InChI=1S/C17H17N3O5S/c1-9-6-10(2)15(11(3)7-9)26(24,25)19-12-4-5-13-14(8-12)18-17(22)20(23)16(13)21/h4-8,19,23H,1-3H3,(H,18,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521969 (CHEMBL4529338) Show SMILES On1c(=O)[nH]c2cc(NC(=O)c3ccc(F)cc3)ccc2c1=O Show InChI InChI=1S/C15H10FN3O4/c16-9-3-1-8(2-4-9)13(20)17-10-5-6-11-12(7-10)18-15(22)19(23)14(11)21/h1-7,23H,(H,17,20)(H,18,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521982 (CHEMBL4476571) Show SMILES On1c(=O)[nH]c2cc(NC(=O)c3cccc(F)c3)ccc2c1=O Show InChI InChI=1S/C15H10FN3O4/c16-9-3-1-2-8(6-9)13(20)17-10-4-5-11-12(7-10)18-15(22)19(23)14(11)21/h1-7,23H,(H,17,20)(H,18,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521980 (CHEMBL4434795) Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc2c(c1)[nH]c(=O)n(O)c2=O Show InChI InChI=1S/C15H13N3O5S/c1-9-3-2-4-11(7-9)24(22,23)17-10-5-6-12-13(8-10)16-15(20)18(21)14(12)19/h2-8,17,21H,1H3,(H,16,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521974 (CHEMBL4554606) Show SMILES On1c(=O)[nH]c2ccc(NC(=O)c3ccccc3F)cc2c1=O Show InChI InChI=1S/C15H10FN3O4/c16-11-4-2-1-3-9(11)13(20)17-8-5-6-12-10(7-8)14(21)19(23)15(22)18-12/h1-7,23H,(H,17,20)(H,18,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521981 (CHEMBL4455408) Show SMILES On1c(=O)[nH]c2cc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)ccc2c1=O Show InChI InChI=1S/C15H10F3N3O5S/c16-15(17,18)8-2-1-3-10(6-8)27(25,26)20-9-4-5-11-12(7-9)19-14(23)21(24)13(11)22/h1-7,20,24H,(H,19,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521973 (CHEMBL4440843) Show SMILES On1c(=O)[nH]c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2c1=O Show InChI InChI=1S/C14H10FN3O5S/c15-8-1-4-10(5-2-8)24(22,23)17-9-3-6-11-12(7-9)16-14(20)18(21)13(11)19/h1-7,17,21H,(H,16,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521972 (CHEMBL4557712) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)[nH]c(=O)n(O)c2=O Show InChI InChI=1S/C18H19N3O5S/c1-18(2,3)11-4-7-13(8-5-11)27(25,26)20-12-6-9-14-15(10-12)19-17(23)21(24)16(14)22/h4-10,20,24H,1-3H3,(H,19,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521966 (CHEMBL4470804) Show SMILES On1c(=O)[nH]c2cc(NC(=O)c3ccc(cc3)C(F)(F)F)ccc2c1=O Show InChI InChI=1S/C16H10F3N3O4/c17-16(18,19)9-3-1-8(2-4-9)13(23)20-10-5-6-11-12(7-10)21-15(25)22(26)14(11)24/h1-7,26H,(H,20,23)(H,21,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521978 (CHEMBL4570054) Show SMILES On1c(=O)[nH]c2cc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)ccc2c1=O Show InChI InChI=1S/C20H15N3O5S/c24-19-17-11-8-15(12-18(17)21-20(25)23(19)26)22-29(27,28)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,22,26H,(H,21,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50521971 (CHEMBL4437234) Show SMILES On1c(=O)[nH]c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2c1=O Show InChI InChI=1S/C18H13N3O5S/c22-17-15-8-6-13(10-16(15)19-18(23)21(17)24)20-27(25,26)14-7-5-11-3-1-2-4-12(11)9-14/h1-10,20,24H,(H,19,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide...				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
					More data for this Ligand-Target Pair