Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 7391   

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 (Human immunodeficiency virus type 1 group M subtyp...)	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	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192670 (3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-o-...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3C)CCCc2c1 Show InChI InChI=1S/C24H31N3O2/c1-19-6-3-4-8-22(19)26-14-16-27(17-15-26)24(28)11-13-25-12-5-7-20-18-21(29-2)9-10-23(20)25/h3-4,6,8-10,18H,5,7,11-17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192683 (1-(4-(2,3-dichlorophenyl)piperazin-1-yl)-3-(6-meth...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3cccc(Cl)c3Cl)CCCc2c1 Show InChI InChI=1S/C23H27Cl2N3O2/c1-30-18-7-8-20-17(16-18)4-3-10-26(20)11-9-22(29)28-14-12-27(13-15-28)21-6-2-5-19(24)23(21)25/h2,5-8,16H,3-4,9-15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192678 (1-(4-(3-chlorophenyl)piperazin-1-yl)-3-(6-methoxy-...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3cccc(Cl)c3)CCCc2c1 Show InChI InChI=1S/C23H28ClN3O2/c1-29-21-7-8-22-18(16-21)4-3-10-26(22)11-9-23(28)27-14-12-25(13-15-27)20-6-2-5-19(24)17-20/h2,5-8,16-17H,3-4,9-15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192669 (3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-ph...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3)CCCc2c1 Show InChI InChI=1S/C23H29N3O2/c1-28-21-9-10-22-19(18-21)6-5-12-25(22)13-11-23(27)26-16-14-24(15-17-26)20-7-3-2-4-8-20/h2-4,7-10,18H,5-6,11-17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192679 (1-(4-(4-chlorophenyl)piperazin-1-yl)-3-(6-methoxy-...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccc(Cl)cc3)CCCc2c1 Show InChI InChI=1S/C23H28ClN3O2/c1-29-21-8-9-22-18(17-21)3-2-11-26(22)12-10-23(28)27-15-13-25(14-16-27)20-6-4-19(24)5-7-20/h4-9,17H,2-3,10-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192671 (3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-p-...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccc(C)cc3)CCCc2c1 Show InChI InChI=1S/C24H31N3O2/c1-19-5-7-21(8-6-19)25-14-16-27(17-15-25)24(28)11-13-26-12-3-4-20-18-22(29-2)9-10-23(20)26/h5-10,18H,3-4,11-17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192677 (1-(4-(2-chlorophenyl)piperazin-1-yl)-3-(6-methoxy-...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3Cl)CCCc2c1 Show InChI InChI=1S/C23H28ClN3O2/c1-29-19-8-9-21-18(17-19)5-4-11-25(21)12-10-23(28)27-15-13-26(14-16-27)22-7-3-2-6-20(22)24/h2-3,6-9,17H,4-5,10-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192675 (1-(4-(2-fluorophenyl) piperazin-1-yl)-3-(6-methoxy...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3F)CCCc2c1 Show InChI InChI=1S/C23H28FN3O2/c1-29-19-8-9-21-18(17-19)5-4-11-25(21)12-10-23(28)27-15-13-26(14-16-27)22-7-3-2-6-20(22)24/h2-3,6-9,17H,4-5,10-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192682 (3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-(p...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccn3)CCCc2c1 Show InChI InChI=1S/C22H28N4O2/c1-28-19-7-8-20-18(17-19)5-4-11-24(20)12-9-22(27)26-15-13-25(14-16-26)21-6-2-3-10-23-21/h2-3,6-8,10,17H,4-5,9,11-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192672 (3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-(2...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccccc3OC)CCCc2c1 Show InChI InChI=1S/C24H31N3O3/c1-29-20-9-10-21-19(18-20)6-5-12-25(21)13-11-24(28)27-16-14-26(15-17-27)22-7-3-4-8-23(22)30-2/h3-4,7-10,18H,5-6,11-17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192673 (3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-(3...) Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)CCN1CCCc2cc(OC)ccc12 Show InChI InChI=1S/C24H31N3O3/c1-29-21-7-3-6-20(18-21)25-13-15-27(16-14-25)24(28)10-12-26-11-4-5-19-17-22(30-2)8-9-23(19)26/h3,6-9,17-18H,4-5,10-16H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192676 (1-(4-(4-fluorophenyl) piperazin-1-yl)-3-(6-methoxy...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccc(F)cc3)CCCc2c1 Show InChI InChI=1S/C23H28FN3O2/c1-29-21-8-9-22-18(17-21)3-2-11-26(22)12-10-23(28)27-15-13-25(14-16-27)20-6-4-19(24)5-7-20/h4-9,17H,2-3,10-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192680 (3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-(4...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)CCCc2c1 Show InChI InChI=1S/C23H28N4O4/c1-31-21-8-9-22-18(17-21)3-2-11-25(22)12-10-23(28)26-15-13-24(14-16-26)19-4-6-20(7-5-19)27(29)30/h4-9,17H,2-3,10-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192674 (3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(4-(4...) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CCN1CCCc2cc(OC)ccc12 Show InChI InChI=1S/C24H31N3O3/c1-29-21-7-5-20(6-8-21)25-14-16-27(17-15-25)24(28)11-13-26-12-3-4-19-18-22(30-2)9-10-23(19)26/h5-10,18H,3-4,11-17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM192681 (1-(4-benzylpiperazin-1-yl)-3-(6-methoxy-3,4-dihydr...) Show SMILES COc1ccc2N(CCC(=O)N3CCN(Cc4ccccc4)CC3)CCCc2c1 Show InChI InChI=1S/C24H31N3O2/c1-29-22-9-10-23-21(18-22)8-5-12-26(23)13-11-24(28)27-16-14-25(15-17-27)19-20-6-3-2-4-7-20/h2-4,6-7,9-10,18H,5,8,11-17,19H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 67: 75-83 (2016) Article DOI: 10.1016/j.bioorg.2016.05.009 BindingDB Entry DOI: 10.7270/Q2VT1QWC
					More data for this Ligand-Target Pair