Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N]'   

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
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	160	-40.3	n/a	n/a	n/a	n/a	n/a	7.5	37
Universita di Siena					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1224-8 (2009) Article DOI: 10.1021/jm801395v BindingDB Entry DOI: 10.7270/Q237772D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27580 (8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...) Show SMILES CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C27H22ClNO3/c1-2-27(20-14-12-19(13-15-20)18-31-22-8-5-7-21(28)17-22)26(30)24-10-6-16-29(24)23-9-3-4-11-25(23)32-27/h3-17H,2,18H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	-38.7	n/a	n/a	n/a	n/a	n/a	7.5	37
Universita di Siena					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1224-8 (2009) Article DOI: 10.1021/jm801395v BindingDB Entry DOI: 10.7270/Q237772D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27582 (8-[4-(3-chlorophenoxymethyl)phenyl]-8-ethyl-9-oxa-...) Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C26H21ClN2O3/c1-2-26(19-12-10-18(11-13-19)17-31-21-7-3-6-20(27)16-21)24(30)22-8-5-15-29(22)25-23(32-26)9-4-14-28-25/h3-16H,2,17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	800	-36.2	n/a	n/a	n/a	n/a	n/a	7.5	37
Universita di Siena					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1224-8 (2009) Article DOI: 10.1021/jm801395v BindingDB Entry DOI: 10.7270/Q237772D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27581 (8-ethyl-8-[4-(phenoxymethyl)phenyl]-9-oxa-2,14-dia...) Show SMILES CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2ccccc2)cc1 Show InChI InChI=1S/C26H22N2O3/c1-2-26(20-14-12-19(13-15-20)18-30-21-8-4-3-5-9-21)24(29)22-10-7-17-28(22)25-23(31-26)11-6-16-27-25/h3-17H,2,18H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	-34.6	n/a	n/a	n/a	n/a	n/a	7.5	37
Universita di Siena					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1224-8 (2009) Article DOI: 10.1021/jm801395v BindingDB Entry DOI: 10.7270/Q237772D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	7.00E+3	-30.6	n/a	n/a	n/a	n/a	n/a	7.5	37
Universita di Siena					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1224-8 (2009) Article DOI: 10.1021/jm801395v BindingDB Entry DOI: 10.7270/Q237772D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27579 (AG 1549 | CPV | Capravirine | {5-[(3,5-dichlorophe...) Show SMILES CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27577 (5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...) Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	364	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27576 (5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-...) Show SMILES Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	384	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27578 (5-{[7-(hydroxymethyl)-3-methyl-1H-indazol-4-yl]oxy...) Show SMILES Cc1n[nH]c2c(CO)ccc(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H12N4O2/c1-10-16-15(3-2-13(9-22)17(16)21-20-10)23-14-5-11(7-18)4-12(6-14)8-19/h2-6,22H,9H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair