Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 427   

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]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2307 (5- or 6-Substituted Indole BHAP analogue 21 | N-[2...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(NS(C)(=O)=O)cc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-18-5-4-8-23-21(18)27-9-11-28(12-10-27)22(29)20-13-16-6-7-17(14-19(16)25-20)26-32(3,30)31/h4-8,13-15,24-26H,9-12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2309 (5- or 6-Substituted Indole BHAP analogue 23 | [2-(...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(CO)cc2[nH]1 Show InChI InChI=1S/C22H27N5O2/c1-15(2)24-18-4-3-7-23-21(18)26-8-10-27(11-9-26)22(29)20-13-17-6-5-16(14-28)12-19(17)25-20/h3-7,12-13,15,24-25,28H,8-11,14H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2295 (2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(N)ccc2[nH]1 Show InChI InChI=1S/C21H26N6O/c1-14(2)24-18-4-3-7-23-20(18)26-8-10-27(11-9-26)21(28)19-13-15-12-16(22)5-6-17(15)25-19/h3-7,12-14,24-25H,8-11,22H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1944 (BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3	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	1.10E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2291 (2-[4-(1H-indol-2-ylcarbonyl)piperazin-1-yl]-N-(pro...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C21H25N5O/c1-15(2)23-18-8-5-9-22-20(18)25-10-12-26(13-11-25)21(27)19-14-16-6-3-4-7-17(16)24-19/h3-9,14-15,23-24H,10-13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2299 (2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(O)cc2[nH]1 Show InChI InChI=1S/C21H25N5O2/c1-14(2)23-17-4-3-7-22-20(17)25-8-10-26(11-9-25)21(28)19-12-15-5-6-16(27)13-18(15)24-19/h3-7,12-14,23-24,27H,8-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2296 (2-{4-[(6-methoxy-1H-indol-2-yl)carbonyl]piperazin-...) Show SMILES COc1ccc2cc([nH]c2c1)C(=O)N1CCN(CC1)c1ncccc1NC(C)C Show InChI InChI=1S/C22H27N5O2/c1-15(2)24-18-5-4-8-23-21(18)26-9-11-27(12-10-26)22(28)20-13-16-6-7-17(29-3)14-19(16)25-20/h4-8,13-15,24-25H,9-12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2292 (2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(O)ccc2[nH]1 Show InChI InChI=1S/C21H25N5O2/c1-14(2)23-18-4-3-7-22-20(18)25-8-10-26(11-9-25)21(28)19-13-15-12-16(27)5-6-17(15)24-19/h3-7,12-14,23-24,27H,8-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2301 (2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(C=O)cc2[nH]1 Show InChI InChI=1S/C22H25N5O2/c1-15(2)24-18-4-3-7-23-21(18)26-8-10-27(11-9-26)22(29)20-13-17-6-5-16(14-28)12-19(17)25-20/h3-7,12-15,24-25H,8-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2303 (5- or 6-Substituted Indole BHAP analogue 17 | N-[2...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NC(C)=O)ccc2[nH]1 Show InChI InChI=1S/C23H28N6O2/c1-15(2)25-20-5-4-8-24-22(20)28-9-11-29(12-10-28)23(31)21-14-17-13-18(26-16(3)30)6-7-19(17)27-21/h4-8,13-15,25,27H,9-12H2,1-3H3,(H,26,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2290 (2-({4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl}c...) Show SMILES CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(O)ccc2[nH]1 Show InChI InChI=1S/C20H23N5O2/c1-2-21-17-4-3-7-22-19(17)24-8-10-25(11-9-24)20(27)18-13-14-12-15(26)5-6-16(14)23-18/h3-7,12-13,21,23,26H,2,8-11H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2308 (2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(OS(C)(=O)=O)cc2[nH]1 Show InChI InChI=1S/C22H27N5O4S/c1-15(2)24-18-5-4-8-23-21(18)26-9-11-27(12-10-26)22(28)20-13-16-6-7-17(14-19(16)25-20)31-32(3,29)30/h4-8,13-15,24-25H,9-12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2304 (5- or 6-Substituted Indole BHAP analogue 18 | meth...) Show SMILES COC(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ncccc1NC(C)C Show InChI InChI=1S/C23H28N6O3/c1-15(2)25-19-5-4-8-24-21(19)28-9-11-29(12-10-28)22(30)20-14-16-13-17(26-23(31)32-3)6-7-18(16)27-20/h4-8,13-15,25,27H,9-12H2,1-3H3,(H,26,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1317 (3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...) Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2300 (2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(cc2[nH]1)C#N Show InChI InChI=1S/C22H24N6O/c1-15(2)25-18-4-3-7-24-21(18)27-8-10-28(11-9-27)22(29)20-13-17-6-5-16(14-23)12-19(17)26-20/h3-7,12-13,15,25-26H,8-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2289 (BHAP analogue 1 | N-ethyl-2-[4-(1H-indol-2-ylcarbo...) Show SMILES CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C20H23N5O/c1-2-21-17-8-5-9-22-19(17)24-10-12-25(13-11-24)20(26)18-14-15-6-3-4-7-16(15)23-18/h3-9,14,21,23H,2,10-13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2293 (2-(4-{[5-(benzyloxy)-1H-indol-2-yl]carbonyl}pipera...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1 Show InChI InChI=1S/C28H31N5O2/c1-20(2)30-25-9-6-12-29-27(25)32-13-15-33(16-14-32)28(34)26-18-22-17-23(10-11-24(22)31-26)35-19-21-7-4-3-5-8-21/h3-12,17-18,20,30-31H,13-16,19H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2297 (2-{4-[(6-fluoro-1H-indol-2-yl)carbonyl]piperazin-1...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(F)cc2[nH]1 Show InChI InChI=1S/C21H24FN5O/c1-14(2)24-17-4-3-7-23-20(17)26-8-10-27(11-9-26)21(28)19-12-15-5-6-16(22)13-18(15)25-19/h3-7,12-14,24-25H,8-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1437 (5-methoxyindole-2-carboxylic acid [N -[3-(aminoeth...) Show SMILES CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1 Show InChI InChI=1S/C21H25N5O2/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19/h4-8,13-14,22,24H,3,9-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2302 (2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(OS(C)(=O)=O)ccc2[nH]1 Show InChI InChI=1S/C22H27N5O4S/c1-15(2)24-19-5-4-8-23-21(19)26-9-11-27(12-10-26)22(28)20-14-16-13-17(31-32(3,29)30)6-7-18(16)25-20/h4-8,13-15,24-25H,9-12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (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	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2310 (5- or 6-Substituted Indole BHAP analogue 24 | N-me...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)N(C)S(C)(=O)=O Show InChI InChI=1S/C23H30N6O3S/c1-16(2)25-20-6-5-9-24-22(20)28-10-12-29(13-11-28)23(30)21-15-17-14-18(7-8-19(17)26-21)27(3)33(4,31)32/h5-9,14-16,25-26H,10-13H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2306 (5- or 6-Substituted Indole BHAP analogue 20 | trif...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)C(F)(F)F)ccc2[nH]1 Show InChI InChI=1S/C22H25F3N6O3S/c1-14(2)27-18-4-3-7-26-20(18)30-8-10-31(11-9-30)21(32)19-13-15-12-16(5-6-17(15)28-19)29-35(33,34)22(23,24)25/h3-7,12-14,27-29H,8-11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2305 (2,2,2-trifluoro-N-[2-({4-[3-(propan-2-ylamino)pyri...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NC(=O)C(F)(F)F)ccc2[nH]1 Show InChI InChI=1S/C23H25F3N6O2/c1-14(2)28-18-4-3-7-27-20(18)31-8-10-32(11-9-31)21(33)19-13-15-12-16(5-6-17(15)30-19)29-22(34)23(24,25)26/h3-7,12-14,28,30H,8-11H2,1-2H3,(H,29,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2294 (2-{4-[(5-methyl-1H-indol-2-yl)carbonyl]piperazin-1...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(C)ccc2[nH]1 Show InChI InChI=1S/C22H27N5O/c1-15(2)24-19-5-4-8-23-21(19)26-9-11-27(12-10-26)22(28)20-14-17-13-16(3)6-7-18(17)25-20/h4-8,13-15,24-25H,9-12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2298 (2-(4-{[6-(benzyloxy)-1H-indol-2-yl]carbonyl}pipera...) Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1 Show InChI InChI=1S/C28H31N5O2/c1-20(2)30-24-9-6-12-29-27(24)32-13-15-33(16-14-32)28(34)26-17-22-10-11-23(18-25(22)31-26)35-19-21-7-4-3-5-8-21/h3-12,17-18,20,30-31H,13-16,19H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	8.3	37
Upjohn					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 36: 1505-8 (1993) Article DOI: 10.1021/jm00062a027 BindingDB Entry DOI: 10.7270/Q2N58JJ2
					More data for this Ligand-Target Pair