Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A]'   

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 [600-1027,G789A]/[600-1155,G789A] (Human immunodeficiency virus type 1)	BDBM2104 (13-[2-(3-aminophenyl)ethyl]-5-chloro-2-ethyl-9-met...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12 Show InChI InChI=1S/C22H22ClN5O/c1-3-28-20-17(22(29)27(2)18-9-10-19(23)26-21(18)28)12-15(13-25-20)8-7-14-5-4-6-16(24)11-14/h4-6,9-13H,3,7-8,24H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A] (Human immunodeficiency virus type 1)	BDBM2014 (2-ethyl-5-(1H-indol-3-yl)-9-methyl-2,4,9,15-tetraa...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C22H19N5O/c1-3-27-20-15(8-6-12-23-20)22(28)26(2)19-11-10-18(25-21(19)27)16-13-24-17-9-5-4-7-14(16)17/h4-13,24H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 40: 2430-3 (1997) Article DOI: 10.1021/jm960837y BindingDB Entry DOI: 10.7270/Q2P26W9K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A] (Human immunodeficiency virus type 1)	BDBM2019 (2-(6-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cnccc12 Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(5-4-9-23-19)21(28)26(2)18-7-6-16(25-20(18)27)15-11-24-17-12-22-10-8-13(15)17/h4-12,24H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 40: 2430-3 (1997) Article DOI: 10.1021/jm960837y BindingDB Entry DOI: 10.7270/Q2P26W9K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A] (Human immunodeficiency virus type 1)	BDBM2113 (13-[2-(2-aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(N)c3)cnc12 Show InChI InChI=1S/C21H21ClN6O/c1-3-28-19-15(21(29)27(2)16-6-7-17(22)26-20(16)28)10-14(12-25-19)5-4-13-8-9-24-18(23)11-13/h6-12H,3-5H2,1-2H3,(H2,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A] (Human immunodeficiency virus type 1)	BDBM2021 (2,8-Disubstituted Dipyridodiazepinone 37 | 2,8-Sub...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12 Show InChI InChI=1S/C21H20ClN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A] (Human immunodeficiency virus type 1)	BDBM2096 (2,8-Substituted Dipyridodiazepinone 39 | 2-ethyl-5...) Show SMILES CCN1c2nc(F)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12 Show InChI InChI=1S/C21H20FN5O/c1-3-27-19-16(21(28)26(2)17-6-7-18(22)25-20(17)27)12-15(13-24-19)5-4-14-8-10-23-11-9-14/h6-13H,3-5H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A] (Human immunodeficiency virus type 1)	BDBM2022 (2,8-Disubstituted Dipyridodiazepinone 36 | 2,8-Sub...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12 Show InChI InChI=1S/C22H21ClN4O/c1-3-27-20-17(22(28)26(2)18-11-12-19(23)25-21(18)27)13-16(14-24-20)10-9-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A] (Human immunodeficiency virus type 1)	BDBM1553 (2-ethyl-9-methyl-5-(1H-pyrrol-3-yl)-2,4,9,15-tetra...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]c1 Show InChI InChI=1S/C18H17N5O/c1-3-23-16-13(5-4-9-20-16)18(24)22(2)15-7-6-14(21-17(15)23)12-8-10-19-11-12/h4-11,19H,3H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 40: 2430-3 (1997) Article DOI: 10.1021/jm960837y BindingDB Entry DOI: 10.7270/Q2P26W9K
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,G789A]/[600-1155,G789A] (Human immunodeficiency virus type 1)	BDBM2015 (2-ethyl-5-(5-methoxy-1H-indol-3-yl)-9-methyl-2,4,9...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(OC)cc12 Show InChI InChI=1S/C23H21N5O2/c1-4-28-21-15(6-5-11-24-21)23(29)27(2)20-10-9-19(26-22(20)28)17-13-25-18-8-7-14(30-3)12-16(17)18/h5-13,25H,4H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 40: 2430-3 (1997) Article DOI: 10.1021/jm960837y BindingDB Entry DOI: 10.7270/Q2P26W9K
					More data for this Ligand-Target Pair