Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'hong' and Initial = 'js'   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by PDSP Ki Database									Mol Pharmacol 31: 326-33 (1987) BindingDB Entry DOI: 10.7270/Q279435W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by PDSP Ki Database									Mol Pharmacol 31: 326-33 (1987) BindingDB Entry DOI: 10.7270/Q279435W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by PDSP Ki Database									Mol Pharmacol 31: 326-33 (1987) BindingDB Entry DOI: 10.7270/Q279435W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by PDSP Ki Database									Mol Pharmacol 31: 326-33 (1987) BindingDB Entry DOI: 10.7270/Q279435W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by PDSP Ki Database									Mol Pharmacol 31: 326-33 (1987) BindingDB Entry DOI: 10.7270/Q279435W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50209301 ((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C28H37N5O5/c1-17(2)24(25(30)35)32-26(36)22(16-18-7-4-3-5-8-18)31-27(37)23-9-6-14-33(23)28(38)21(29)15-19-10-12-20(34)13-11-19/h3-5,7-8,10-13,17,21-24,34H,6,9,14-16,29H2,1-2H3,(H2,30,35)(H,31,37)(H,32,36)/t21-,22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by PDSP Ki Database									Mol Pharmacol 31: 326-33 (1987) BindingDB Entry DOI: 10.7270/Q279435W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50044896 (CHEMBL162564 | Morphiceptin | Tyr-Pro-D-Phe-Pro-NH...) Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(N)=O Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21?,22-,23?,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by PDSP Ki Database									Mol Pharmacol 31: 326-33 (1987) BindingDB Entry DOI: 10.7270/Q279435W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50209301 ((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)-N...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C28H37N5O5/c1-17(2)24(25(30)35)32-26(36)22(16-18-7-4-3-5-8-18)31-27(37)23-9-6-14-33(23)28(38)21(29)15-19-10-12-20(34)13-11-19/h3-5,7-8,10-13,17,21-24,34H,6,9,14-16,29H2,1-2H3,(H2,30,35)(H,31,37)(H,32,36)/t21-,22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by PDSP Ki Database									Mol Pharmacol 31: 326-33 (1987) BindingDB Entry DOI: 10.7270/Q279435W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50044896 (CHEMBL162564 | Morphiceptin | Tyr-Pro-D-Phe-Pro-NH...) Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(N)=O Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21?,22-,23?,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by PDSP Ki Database									Mol Pharmacol 31: 326-33 (1987) BindingDB Entry DOI: 10.7270/Q279435W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21008 ((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by PDSP Ki Database									Mol Pharmacol 31: 326-33 (1987) BindingDB Entry DOI: 10.7270/Q279435W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM82064 (CAS_79805-24-6 | NSC_16219643 | beta-Casomorphin) Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(N)=O Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by PDSP Ki Database									Mol Pharmacol 31: 326-33 (1987) BindingDB Entry DOI: 10.7270/Q279435W
					More data for this Ligand-Target Pair
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
Dihydrofolate reductase (Candida albicans)	BDBM18043 (1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QU...) Show SMILES CCC(CC)n1ccc2c1ccc1nc(N)nc(N)c21 Show InChI InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	6.4	30
GSK					Assay Description IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...				J Med Chem 44: 2928-32 (2001) Article DOI: 10.1021/jm0101444 BindingDB Entry DOI: 10.7270/Q2XW4H2K
					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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18043 (1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QU...) Show SMILES CCC(CC)n1ccc2c1ccc1nc(N)nc(N)c21 Show InChI InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.0	30
GSK					Assay Description IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...				J Med Chem 44: 2928-32 (2001) Article DOI: 10.1021/jm0101444 BindingDB Entry DOI: 10.7270/Q2XW4H2K
					More data for this Ligand-Target Pair
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)
Dihydrofolate reductase (Candida albicans)	BDBM18047 (5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDI...) Show SMILES CC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C18H20N4S/c1-18(2,3)11-7-9-12(10-8-11)23-14-6-4-5-13-15(14)16(19)22-17(20)21-13/h4-10H,1-3H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	6.4	30
GSK					Assay Description IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...				J Med Chem 44: 2928-32 (2001) Article DOI: 10.1021/jm0101444 BindingDB Entry DOI: 10.7270/Q2XW4H2K
					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
Dihydrofolate reductase (Candida albicans)	BDBM18046 (5-((4-methylphenyl)thio)-quinazoline 2,4-diamine, ...) Show SMILES Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	6.4	30
GSK					Assay Description IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...				J Med Chem 44: 2928-32 (2001) Article DOI: 10.1021/jm0101444 BindingDB Entry DOI: 10.7270/Q2XW4H2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)	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
Dihydrofolate reductase (Candida albicans)	BDBM18045 (5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE | 5-(phe...) Show SMILES Nc1nc(N)c2c(Sc3ccccc3)cccc2n1 Show InChI InChI=1S/C14H12N4S/c15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9/h1-8H,(H4,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	6.4	30
GSK					Assay Description IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...				J Med Chem 44: 2928-32 (2001) Article DOI: 10.1021/jm0101444 BindingDB Entry DOI: 10.7270/Q2XW4H2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Dihydrofolate reductase (Candida albicans)	BDBM18048 (5-{[4-(4-MORPHOLINYL)PHENYL]SULFANYL}-2,4-QUINAZOL...) Show SMILES Nc1nc(N)c2c(Sc3ccc(cc3)N3CCOCC3)cccc2n1 Show InChI InChI=1S/C18H19N5OS/c19-17-16-14(21-18(20)22-17)2-1-3-15(16)25-13-6-4-12(5-7-13)23-8-10-24-11-9-23/h1-7H,8-11H2,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	6.4	30
GSK					Assay Description IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...				J Med Chem 44: 2928-32 (2001) Article DOI: 10.1021/jm0101444 BindingDB Entry DOI: 10.7270/Q2XW4H2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
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)	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)	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)	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)	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)	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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18045 (5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE | 5-(phe...) Show SMILES Nc1nc(N)c2c(Sc3ccccc3)cccc2n1 Show InChI InChI=1S/C14H12N4S/c15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9/h1-8H,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	7.0	30
GSK					Assay Description IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...				J Med Chem 44: 2928-32 (2001) Article DOI: 10.1021/jm0101444 BindingDB Entry DOI: 10.7270/Q2XW4H2K
					More data for this Ligand-Target Pair
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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18046 (5-((4-methylphenyl)thio)-quinazoline 2,4-diamine, ...) Show SMILES Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	7.0	30
GSK					Assay Description IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...				J Med Chem 44: 2928-32 (2001) Article DOI: 10.1021/jm0101444 BindingDB Entry DOI: 10.7270/Q2XW4H2K
					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 [588-1027]/[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 [588-1027]/[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)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18047 (5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDI...) Show SMILES CC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 Show InChI InChI=1S/C18H20N4S/c1-18(2,3)11-7-9-12(10-8-11)23-14-6-4-5-13-15(14)16(19)22-17(20)21-13/h4-10H,1-3H3,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	7.0	30
GSK					Assay Description IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...				J Med Chem 44: 2928-32 (2001) Article DOI: 10.1021/jm0101444 BindingDB Entry DOI: 10.7270/Q2XW4H2K
					More data for this Ligand-Target Pair
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

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