Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [613-1167,R896S,E946D,S1117V]/[618-1043,R896S,E946D]'   

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 [613-1167,R896S,E946D,S1117V]/[618-1043,R896S,E946D] (Human immunodeficiency virus type 2)	BDBM33045 (2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...) Show SMILES NC(=O)c1c(N)sc2CCCCCc12 Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [613-1167,R896S,E946D,S1117V]/[618-1043,R896S,E946D] (Human immunodeficiency virus type 2)	BDBM33963 (vinylogous urea, NSC727448) Show SMILES Cc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C Show InChI InChI=1S/C12H12N2O3S/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	8.0	20
National Cancer Institute					Assay Description RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The ...				ACS Chem Biol 3: 635-44 (2008) Article DOI: 10.1021/cb8001039 BindingDB Entry DOI: 10.7270/Q29P300F
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [613-1167,R896S,E946D,S1117V]/[618-1043,R896S,E946D] (Human immunodeficiency virus type 2)	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	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.8	37
Universita di Roma					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 39: 522-30 (1996) Article DOI: 10.1021/jm950568w BindingDB Entry DOI: 10.7270/Q27W69D4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [613-1167,R896S,E946D,S1117V]/[618-1043,R896S,E946D] (Human immunodeficiency virus type 2)	BDBM2338 (Methyl 1-[(2-Amino-5-chlorophenyl)sulfonyl]-1H-pyr...) Show SMILES COC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N Show InChI InChI=1S/C12H11ClN2O4S/c1-19-12(16)10-3-2-6-15(10)20(17,18)11-7-8(13)4-5-9(11)14/h2-7H,14H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.8	37
Universita di Roma					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 39: 522-30 (1996) Article DOI: 10.1021/jm950568w BindingDB Entry DOI: 10.7270/Q27W69D4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [613-1167,R896S,E946D,S1117V]/[618-1043,R896S,E946D] (Human immunodeficiency virus type 2)	BDBM2339 (Pyrrolyl Aryl Sulfone (PAS) 3 | Pyrrolyl Aryl Sulf...) Show SMILES CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N Show InChI InChI=1S/C13H13ClN2O4S/c1-2-20-13(17)11-4-3-7-16(11)21(18,19)12-8-9(14)5-6-10(12)15/h3-8H,2,15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.8	37
Universita di Roma					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 39: 522-30 (1996) Article DOI: 10.1021/jm950568w BindingDB Entry DOI: 10.7270/Q27W69D4
					More data for this Ligand-Target Pair