Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'stuart' and Initial = 'di'   

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)	BDBM1803 (2-Amino-6-arylthiobenzonitrile deriv. 3w | 2-amino...) Show SMILES Cc1cc(Br)cc(c1)S(=O)(=O)c1cccc(N)c1C#N Show InChI InChI=1S/C14H11BrN2O2S/c1-9-5-10(15)7-11(6-9)20(18,19)14-4-2-3-13(17)12(14)8-16/h2-7H,17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1804 (2-Amino-6-arylthiobenzonitrile deriv. 3x | 2-amino...) Show SMILES Cc1cc(Cl)cc(c1)S(=O)(=O)c1cccc(N)c1C#N Show InChI InChI=1S/C14H11ClN2O2S/c1-9-5-10(15)7-11(6-9)20(18,19)14-4-2-3-13(17)12(14)8-16/h2-7H,17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50050533 (6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | 6-...) Show SMILES CC(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Oxford Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-1 reverse transcriptase				J Med Chem 39: 1589-600 (1996) Article DOI: 10.1021/jm960056x BindingDB Entry DOI: 10.7270/Q23X85QC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1802 (2-Amino-6-arylthiobenzonitrile deriv. 3v, 739W94 |...) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N Show InChI InChI=1S/C15H14N2O2S/c1-10-6-11(2)8-12(7-10)20(18,19)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2337 (6-benzyl-1-(ethoxymethyl)-5-(propan-2-yl)-1,2,3,4-...) Show SMILES CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O Show InChI InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Oxford Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-1 reverse transcriptase				J Med Chem 39: 1589-600 (1996) Article DOI: 10.1021/jm960056x BindingDB Entry DOI: 10.7270/Q23X85QC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1805 (2-Amino-6-arylthiobenzonitrile deriv. 3y | 2-amino...) Show SMILES COc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N Show InChI InChI=1S/C15H14N2O3S/c1-10-6-11(20-2)8-12(7-10)21(18,19)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1778 (2-Amino-6-arylthiobenzonitrile deriv. 3ff | 2-amin...) Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H12N2O2S/c18-11-15-16(19)6-3-7-17(15)22(20,21)14-9-8-12-4-1-2-5-13(12)10-14/h1-10H,19H2	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
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1801 (2-Amino-6-arylthiobenzonitrile deriv. 3u | 2-amino...) Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C13H8Cl2N2O2S/c14-8-4-9(15)6-10(5-8)20(18,19)13-3-1-2-12(17)11(13)7-16/h1-6H,17H2	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
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1806 (2-Amino-6-arylthiobenzonitrile deriv. 3z | 2-amino...) Show SMILES COc1cc(cc(c1)S(=O)(=O)c1cccc(N)c1C#N)C(F)(F)F Show InChI InChI=1S/C15H11F3N2O3S/c1-23-10-5-9(15(16,17)18)6-11(7-10)24(21,22)14-4-2-3-13(20)12(14)8-19/h2-7H,20H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1751 (2-Amino-6-arylthiobenzonitrile deriv. 1u | 2-amino...) Show SMILES Nc1cccc(Sc2cc(Cl)cc(Cl)c2)c1C#N Show InChI InChI=1S/C13H8Cl2N2S/c14-8-4-9(15)6-10(5-8)18-13-3-1-2-12(17)11(13)7-16/h1-6H,17H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	8.0	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1753 (2-Amino-6-arylthiobenzonitrile deriv. 1w | 2-amino...) Show SMILES COc1cc(C)cc(Sc2cccc(N)c2C#N)c1 Show InChI InChI=1S/C15H14N2OS/c1-10-6-11(18-2)8-12(7-10)19-15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	8.0	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Peptidoglycan D,D-transpeptidase FtsI (Pseudomonas aeruginosa)	BDBM50240426 ((2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazi...) Show SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O |r| Show InChI InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	7.2	25
University of Oxford					Assay Description An appropriate amount of enzyme (4uM) was pre-incubated with the (5R)- or 5(S)-penicilloic acid in the assay buffer (50mM HEPES-NaOH buffer (pH 7.2) ...				ACS Chem Biol 8: 2112-6 (2013) Article DOI: 10.1021/cb400200h BindingDB Entry DOI: 10.7270/Q2VT1QRK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1786 (2-Amino-6-arylthiobenzonitrile deriv. 3f | 2-amino...) Show SMILES Cc1cccc(c1)S(=O)(=O)c1cccc(N)c1C#N Show InChI InChI=1S/C14H12N2O2S/c1-10-4-2-5-11(8-10)19(17,18)14-7-3-6-13(16)12(14)9-15/h2-8H,16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1792 (2-Amino-6-arylthiobenzonitrile deriv. 3l | 2-amino...) Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cccc(Br)c1 Show InChI InChI=1S/C13H9BrN2O2S/c14-9-3-1-4-10(7-9)19(17,18)13-6-2-5-12(16)11(13)8-15/h1-7H,16H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM12080 (6-Chloro-4-Cyclohexylthio-3-propyl-1H-quinol-2-one...) Show SMILES CCCc1c(SC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNOS/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	300	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1800 (2-Amino-6-arylthiobenzonitrile deriv. 3t | 2-amino...) Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H8Cl2N2O2S/c14-8-4-5-10(15)13(6-8)20(18,19)12-3-1-2-11(17)9(12)7-16/h1-6H,17H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM12081 (6-Chloro-4-(cyclohexylsulfinyl)-3-propyl-1H-quinol...) Show SMILES CCCc1c(S(=O)C2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2S/c1-2-6-14-17(23(22)13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1789 (2-Amino-6-arylthiobenzonitrile deriv. 3i | 2-amino...) Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H9ClN2O2S/c14-9-3-1-4-10(7-9)19(17,18)13-6-2-5-12(16)11(13)8-15/h1-7H,16H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1776 (2-Amino-6-arylthiobenzonitrile deriv. 3dd | 2-amin...) Show SMILES CCCCOc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N Show InChI InChI=1S/C18H20N2O3S/c1-3-4-8-23-14-9-13(2)10-15(11-14)24(21,22)18-7-5-6-17(20)16(18)12-19/h5-7,9-11H,3-4,8,20H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1769 (2-Amino-6-arylthiobenzonitrile deriv. 2n | 2-amino...) Show SMILES Cc1cc(C)cc(c1)S(=O)c1cccc(N)c1C#N Show InChI InChI=1S/C15H14N2OS/c1-10-6-11(2)8-12(7-10)19(18)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1771 (2-Amino-6-arylthiobenzonitrile deriv. 2p | 2-amino...) Show SMILES Cc1cc(Cl)cc(c1)S(=O)c1cccc(N)c1C#N Show InChI InChI=1S/C14H11ClN2OS/c1-9-5-10(15)7-11(6-9)19(18)14-4-2-3-13(17)12(14)8-16/h2-7H,17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1783 (2-Amino-6-arylthiobenzonitrile deriv. 3c | 2-amino...) Show SMILES COc1cccc(c1)S(=O)(=O)c1cccc(N)c1C#N Show InChI InChI=1S/C14H12N2O3S/c1-19-10-4-2-5-11(8-10)20(17,18)14-7-3-6-13(16)12(14)9-15/h2-8H,16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM12079 (6-Chloro-4-cyclohexyloxy-3-isopropylquinol-2-one |...) Show SMILES CC(C)c1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2/c1-11(2)16-17(22-13-6-4-3-5-7-13)14-10-12(19)8-9-15(14)20-18(16)21/h8-11,13H,3-7H2,1-2H3,(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	630	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM12078 (6-Chloro-4-cyclohexyloxy-3-propyl-1H-quinol-2-one ...) Show SMILES CCCc1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM12080 (6-Chloro-4-Cyclohexylthio-3-propyl-1H-quinol-2-one...) Show SMILES CCCc1c(SC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNOS/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1772 (2-Amino-6-arylthiobenzonitrile deriv. 2q | 2-amino...) Show SMILES COc1cc(cc(c1)C(F)(F)F)S(=O)c1cccc(N)c1C#N Show InChI InChI=1S/C15H11F3N2O2S/c1-22-10-5-9(15(16,17)18)6-11(7-10)23(21)14-4-2-3-13(20)12(14)8-19/h2-7H,20H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1736 (2-Amino-6-arylthiobenzonitrile deriv. 1f | 2-amino...) Show SMILES Cc1cccc(Sc2cccc(N)c2C#N)c1 Show InChI InChI=1S/C14H12N2S/c1-10-4-2-5-11(8-10)17-14-7-3-6-13(16)12(14)9-15/h2-8H,16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	8.0	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1777 (2-(4a,8a-dihydronaphthalene-1-sulfonyl)-6-aminoben...) Show SMILES Nc1cccc(c1C#N)S(=O)(=O)C1=CC=CC2C=CC=CC12 |c:15,18,20,t:13| Show InChI InChI=1S/C17H14N2O2S/c18-11-14-15(19)8-4-10-17(14)22(20,21)16-9-3-6-12-5-1-2-7-13(12)16/h1-10,12-13H,19H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1745 (2-Amino-6-arylthiobenzonitrile deriv. 1o | 2-amino...) Show SMILES Nc1cccc(Sc2cccc(c2)C#N)c1C#N Show InChI InChI=1S/C14H9N3S/c15-8-10-3-1-4-11(7-10)18-14-6-2-5-13(17)12(14)9-16/h1-7H,17H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	8.0	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1750 (2-Amino-6-arylthiobenzonitrile deriv. 1t | 2-amino...) Show SMILES Cc1cc(C)cc(Sc2cccc(N)c2C#N)c1 Show InChI InChI=1S/C15H14N2S/c1-10-6-11(2)8-12(7-10)18-15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	8.0	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM12078 (6-Chloro-4-cyclohexyloxy-3-propyl-1H-quinol-2-one ...) Show SMILES CCCc1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM12081 (6-Chloro-4-(cyclohexylsulfinyl)-3-propyl-1H-quinol...) Show SMILES CCCc1c(S(=O)C2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2S/c1-2-6-14-17(23(22)13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I] (Human immunodeficiency virus type 1)	BDBM12078 (6-Chloro-4-cyclohexyloxy-3-propyl-1H-quinol-2-one ...) Show SMILES CCCc1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1782 (2-Amino-6-arylthiobenzonitrile deriv. 3b | 2-amino...) Show SMILES COc1ccccc1S(=O)(=O)c1cccc(N)c1C#N Show InChI InChI=1S/C14H12N2O3S/c1-19-12-6-2-3-7-14(12)20(17,18)13-8-4-5-11(16)10(13)9-15/h2-8H,16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1733 (2-Amino-6-arylthiobenzonitrile deriv. 1c | 2-amino...) Show SMILES COc1cccc(Sc2cccc(N)c2C#N)c1 Show InChI InChI=1S/C14H12N2OS/c1-17-10-4-2-5-11(8-10)18-14-7-3-6-13(16)12(14)9-15/h2-8H,16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	8.0	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I] (Human immunodeficiency virus type 1)	BDBM12080 (6-Chloro-4-Cyclohexylthio-3-propyl-1H-quinol-2-one...) Show SMILES CCCc1c(SC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNOS/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1752 (2-Amino-6-arylthiobenzonitrile deriv. 1v | 2-amino...) Show SMILES Cc1cc(Cl)cc(Sc2cccc(N)c2C#N)c1 Show InChI InChI=1S/C14H11ClN2S/c1-9-5-10(15)7-11(6-9)18-14-4-2-3-13(17)12(14)8-16/h2-7H,17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	8.0	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1797 (2-Amino-6-arylthiobenzonitrile deriv. 3q | 2-amino...) Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C14H9N3O2S/c15-8-10-3-1-4-11(7-10)20(18,19)14-6-2-5-13(17)12(14)9-16/h1-7H,17H2	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	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I] (Human immunodeficiency virus type 1)	BDBM12079 (6-Chloro-4-cyclohexyloxy-3-isopropylquinol-2-one |...) Show SMILES CC(C)c1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2/c1-11(2)16-17(22-13-6-4-3-5-7-13)14-10-12(19)8-9-15(14)20-18(16)21/h8-11,13H,3-7H2,1-2H3,(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	1.96E+3	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I] (Human immunodeficiency virus type 1)	BDBM12081 (6-Chloro-4-(cyclohexylsulfinyl)-3-propyl-1H-quinol...) Show SMILES CCCc1c(S(=O)C2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2S/c1-2-6-14-17(23(22)13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM12079 (6-Chloro-4-cyclohexyloxy-3-isopropylquinol-2-one |...) Show SMILES CC(C)c1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2/c1-11(2)16-17(22-13-6-4-3-5-7-13)14-10-12(19)8-9-15(14)20-18(16)21/h8-11,13H,3-7H2,1-2H3,(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	2.50E+3	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1732 (2-Amino-6-arylthiobenzonitrile deriv. 1b | 2-amino...) Show SMILES COc1ccccc1Sc1cccc(N)c1C#N Show InChI InChI=1S/C14H12N2OS/c1-17-12-6-2-3-7-14(12)18-13-8-4-5-11(16)10(13)9-15/h2-8H,16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	8.0	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1749 (2-Amino-6-arylthiobenzonitrile deriv. 1s | 2-amino...) Show SMILES Nc1cccc(Sc2cc(Cl)ccc2Cl)c1C#N Show InChI InChI=1S/C13H8Cl2N2S/c14-8-4-5-10(15)13(6-8)18-12-3-1-2-11(17)9(12)7-16/h1-6H,17H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	8.0	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1785 (2-Amino-6-arylthiobenzonitrile deriv. 3e | 2-amino...) Show SMILES Cc1ccccc1S(=O)(=O)c1cccc(N)c1C#N Show InChI InChI=1S/C14H12N2O2S/c1-10-5-2-3-7-13(10)19(17,18)14-8-4-6-12(16)11(14)9-15/h2-8H,16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1763 (2-Amino-6-arylthiobenzonitrile deriv. 2h | 2-amino...) Show SMILES Nc1cccc(c1C#N)S(=O)c1cccc(Br)c1 Show InChI InChI=1S/C13H9BrN2OS/c14-9-3-1-4-10(7-9)18(17)13-6-2-5-12(16)11(13)8-15/h1-7H,16H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1794 (2-Amino-6-arylthiobenzonitrile deriv. 3n | 2-amino...) Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C13H9FN2O2S/c14-10-4-1-2-6-13(10)19(17,18)12-7-3-5-11(16)9(12)8-15/h1-7H,16H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1799 (2-Amino-6-arylthiobenzonitrile deriv. 3s | 2-amino...) Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C14H9F3N2O2S/c15-14(16,17)9-3-1-4-10(7-9)22(20,21)13-6-2-5-12(19)11(13)8-18/h1-7H,19H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair				3D Structure (docked)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1737 (2-Amino-6-arylthiobenzonitrile deriv. 1g | 2-amino...) Show SMILES Cc1ccc(Sc2cccc(N)c2C#N)cc1 Show InChI InChI=1S/C14H12N2S/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(16)12(14)9-15/h2-8H,16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	8.0	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1788 (2-Amino-6-arylthiobenzonitrile deriv. 3h | 2-amino...) Show SMILES Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C13H9ClN2O2S/c14-10-4-1-2-6-13(10)19(17,18)12-7-3-5-11(16)9(12)8-15/h1-7H,16H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					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 44: 1866-82 (2001) Article DOI: 10.1021/jm0004906 BindingDB Entry DOI: 10.7270/Q2FJ2F09
					More data for this Ligand-Target Pair

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