Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50006547   

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)	BDBM50050632 (8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7,8,9-PENTAAZA-...) Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(OC)nc12 Show InChI InChI=1S/C17H17N5O/c1-4-21-15-12(6-5-9-18-15)16-19-10-11(2)22(16)13-7-8-14(23-3)20-17(13)21/h5-10H,4H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50050628 (8-Ethyl-6-methoxy-8H-1,3a,7,8,9-pentaaza-dibenzo[e...) Show SMILES CCN1c2ncccc2-c2nccn2-c2ccc(OC)nc12 Show InChI InChI=1S/C16H15N5O/c1-3-20-14-11(5-4-8-17-14)15-18-9-10-21(15)12-6-7-13(22-2)19-16(12)20/h4-10H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50050640 (8-Ethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...) Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2cccnc12 Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(6-4-8-17-14)15-19-10-11(2)21(15)13-7-5-9-18-16(13)20/h4-10H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50050633 (8-Ethyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...) Show SMILES CCN1c2ncccc2-c2nccn2-c2c(C)ccnc12 Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(5-4-7-17-14)15-19-9-10-21(15)13-11(2)6-8-18-16(13)20/h4-10H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50050636 (8-Cyclopropyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibe...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3-c3nccn3-c12 Show InChI InChI=1S/C17H15N5/c1-11-6-8-19-17-14(11)21-10-9-20-15(21)13-3-2-7-18-16(13)22(17)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50050634 ((8-Ethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e...) Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(nc12)N(C)C Show InChI InChI=1S/C18H20N6/c1-5-23-16-13(7-6-10-19-16)17-20-11-12(2)24(17)14-8-9-15(22(3)4)21-18(14)23/h6-11H,5H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50050635 (6-(3,6-Dihydro-2H-pyridin-1-yl)-8-ethyl-3-methyl-8...) Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(nc12)N1CCC=CC1 |c:28| Show InChI InChI=1S/C21H22N6/c1-3-26-19-16(8-7-11-22-19)20-23-14-15(2)27(20)17-9-10-18(24-21(17)26)25-12-5-4-6-13-25/h4-5,7-11,14H,3,6,12-13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50050637 ((8-Ethyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulen...) Show SMILES CCN1c2ncccc2-c2nccn2-c2ccc(nc12)N(C)C Show InChI InChI=1S/C17H18N6/c1-4-22-15-12(6-5-9-18-15)16-19-10-11-23(16)13-7-8-14(21(2)3)20-17(13)22/h5-11H,4H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50050639 (6-(3,6-Dihydro-2H-pyridin-1-yl)-8-ethyl-8H-1,3a,7,...) Show SMILES CCN1c2ncccc2-c2nccn2-c2ccc(nc12)N1CCC=CC1 |c:27| Show InChI InChI=1S/C20H20N6/c1-2-25-18-15(7-6-10-21-18)19-22-11-14-26(19)16-8-9-17(23-20(16)25)24-12-4-3-5-13-24/h3-4,6-11,14H,2,5,12-13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50050631 (2,8-Diethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenz...) Show SMILES CCN1c2ncccc2-c2nc(CC)c(C)n2-c2cccnc12 Show InChI InChI=1S/C18H19N5/c1-4-14-12(3)23-15-9-7-11-20-18(15)22(5-2)16-13(17(23)21-14)8-6-10-19-16/h6-11H,4-5H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (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 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	6.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1517 (2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0...) Show SMILES CCN1c2nccc(C)c2NC(=O)c2cccnc12 Show InChI InChI=1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50050638 (8-Ethyl-2-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...) Show SMILES CCN1c2ncccc2-c2nc(C)cn2-c2cccnc12 Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(6-4-8-17-14)15-19-11(2)10-21(15)13-7-5-9-18-16(13)20/h4-10H,3H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50050630 (8-Cyclopropyl-3-methyl-8H-1,2,3a,7,8,9-hexaaza-dib...) Show SMILES Cc1nnc2-c3cccnc3N(C3CC3)c3ncccc3-n12 Show InChI InChI=1S/C16H14N6/c1-10-19-20-15-12-4-2-8-17-14(12)22(11-6-7-11)16-13(21(10)15)5-3-9-18-16/h2-5,8-9,11H,6-7H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50050629 (8-Ethyl-3,4-dimethyl-7H,8H-1,3a,7,8,9-pentaaza-dib...) Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2c(C)cc(=O)[nH]c12 Show InChI InChI=1S/C17H17N5O/c1-4-21-15-12(6-5-7-18-15)16-19-9-11(3)22(16)14-10(2)8-13(23)20-17(14)21/h5-9H,4H2,1-3H3,(H,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-FCRDC Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 reverse transcriptase				J Med Chem 39: 1645-50 (1996) Article DOI: 10.1021/jm9508088 BindingDB Entry DOI: 10.7270/Q2VD6XJ4
					More data for this Ligand-Target Pair