Compile Data Set for Download or QSAR

Found 763 hits with Last Name = 'hughes' and Initial = 'sh'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM17667 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) Show SMILES COc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)| Show InChI InChI=1S/C21H14F4N2O/c1-28-18-10-4-9-17-20(18)26-21(19-15(24)7-3-8-16(19)25)27(17)11-12-13(22)5-2-6-14(12)23/h2-10H,11H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	8.0	37
NCI-FCRDC					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 50: 4003-4015 (2007) Article DOI: 10.1021/jm060103d BindingDB Entry DOI: 10.7270/Q25M6409
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020284 (CHEMBL3288833) Show SMILES COC(=O)[C@H](Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12)c1ccccc1 |r| Show InChI InChI=1S/C25H20F2N4O5/c1-36-25(34)20(14-6-3-2-4-7-14)30-21-17-8-5-11-28-22(17)31(35)24(33)19(21)23(32)29-13-15-9-10-16(26)12-18(15)27/h2-12,20,30,35H,13H2,1H3,(H,29,32)/t20-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020294 (CHEMBL3288834) Show SMILES COC(=O)[C@H](CO)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r| Show InChI InChI=1S/C20H18F2N4O6/c1-32-20(30)14(9-27)25-16-12-3-2-6-23-17(12)26(31)19(29)15(16)18(28)24-8-10-4-5-11(21)7-13(10)22/h2-7,14,25,27,31H,8-9H2,1H3,(H,24,28)/t14-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020283 (CHEMBL3288832) Show SMILES COC(=O)[C@@H](Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12)c1ccccc1 |r| Show InChI InChI=1S/C25H20F2N4O5/c1-36-25(34)20(14-6-3-2-4-7-14)30-21-17-8-5-11-28-22(17)31(35)24(33)19(21)23(32)29-13-15-9-10-16(26)12-18(15)27/h2-12,20,30,35H,13H2,1H3,(H,29,32)/t20-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020278 (CHEMBL3288827) Show SMILES OCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C18H16F2N4O4/c19-11-4-3-10(13(20)8-11)9-23-17(26)14-15(21-6-7-25)12-2-1-5-22-16(12)24(28)18(14)27/h1-5,8,21,25,28H,6-7,9H2,(H,23,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020307 (CHEMBL3288835) Show SMILES COC(=O)[C@@H](CO)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r| Show InChI InChI=1S/C20H18F2N4O6/c1-32-20(30)14(9-27)25-16-12-3-2-6-23-17(12)26(31)19(29)15(16)18(28)24-8-10-4-5-11(21)7-13(10)22/h2-7,14,25,27,31H,8-9H2,1H3,(H,24,28)/t14-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50496325 (CHEMBL3125979) Show SMILES On1c2ncccc2cc(C(=O)NCc2ccc(F)c(Cl)c2)c1=O Show InChI InChI=1S/C16H11ClFN3O3/c17-12-6-9(3-4-13(12)18)8-20-15(22)11-7-10-2-1-5-19-14(10)21(24)16(11)23/h1-7,24H,8H2,(H,20,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...				J Med Chem 57: 1573-82 (2014) Article DOI: 10.1021/jm401902n BindingDB Entry DOI: 10.7270/Q22J6FT5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020276 (CHEMBL3288825) Show SMILES CC(C)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C19H18F2N4O3/c1-10(2)24-16-13-4-3-7-22-17(13)25(28)19(27)15(16)18(26)23-9-11-5-6-12(20)8-14(11)21/h3-8,10,24,28H,9H2,1-2H3,(H,23,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020281 (CHEMBL3288830) Show SMILES COC(=O)[C@H](C)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r| Show InChI InChI=1S/C20H18F2N4O5/c1-10(20(29)31-2)25-16-13-4-3-7-23-17(13)26(30)19(28)15(16)18(27)24-9-11-5-6-12(21)8-14(11)22/h3-8,10,25,30H,9H2,1-2H3,(H,24,27)/t10-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50496313 (CHEMBL3125980) Show SMILES On1c2ncccc2cc(C(=O)NCc2ccc(F)c(F)c2)c1=O Show InChI InChI=1S/C16H11F2N3O3/c17-12-4-3-9(6-13(12)18)8-20-15(22)11-7-10-2-1-5-19-14(10)21(24)16(11)23/h1-7,24H,8H2,(H,20,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...				J Med Chem 57: 1573-82 (2014) Article DOI: 10.1021/jm401902n BindingDB Entry DOI: 10.7270/Q22J6FT5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020259 (CHEMBL3288817) Show SMILES On1c2ncccc2c(Nc2ccccc2)c(C(=O)NCc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C22H16F2N4O3/c23-14-9-8-13(17(24)11-14)12-26-21(29)18-19(27-15-5-2-1-3-6-15)16-7-4-10-25-20(16)28(31)22(18)30/h1-11,27,31H,12H2,(H,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020309 (CHEMBL3288837) Show SMILES Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C16H12F2N4O3/c17-9-4-3-8(11(18)6-9)7-21-15(23)12-13(19)10-2-1-5-20-14(10)22(25)16(12)24/h1-6,25H,7,19H2,(H,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020280 (CHEMBL3288829) Show SMILES COC(=O)CNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C19H16F2N4O5/c1-30-14(26)9-23-16-12-3-2-6-22-17(12)25(29)19(28)15(16)18(27)24-8-10-4-5-11(20)7-13(10)21/h2-7,23,29H,8-9H2,1H3,(H,24,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020267 (CHEMBL3288824) Show SMILES CCCCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C21H22F2N4O3/c1-2-3-4-9-24-18-15-6-5-10-25-19(15)27(30)21(29)17(18)20(28)26-12-13-7-8-14(22)11-16(13)23/h5-8,10-11,24,30H,2-4,9,12H2,1H3,(H,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020260 (CHEMBL3288818) Show SMILES CNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C17H14F2N4O3/c1-20-14-11-3-2-6-21-15(11)23(26)17(25)13(14)16(24)22-8-9-4-5-10(18)7-12(9)19/h2-7,20,26H,8H2,1H3,(H,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50496319 (CHEMBL3125970) Show SMILES Oc1c(C(=O)NCc2ccc(F)c(Cl)c2)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C16H11ClFN3O4/c17-10-6-8(3-4-11(10)18)7-20-15(23)12-13(22)9-2-1-5-19-14(9)21(25)16(12)24/h1-6,22,25H,7H2,(H,20,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...				J Med Chem 57: 1573-82 (2014) Article DOI: 10.1021/jm401902n BindingDB Entry DOI: 10.7270/Q22J6FT5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020279 (CHEMBL3288828) Show SMILES CC(=O)OCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C20H18F2N4O5/c1-11(27)31-8-7-23-17-14-3-2-6-24-18(14)26(30)20(29)16(17)19(28)25-10-12-4-5-13(21)9-15(12)22/h2-6,9,23,30H,7-8,10H2,1H3,(H,25,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020282 (CHEMBL3288831) Show SMILES COC(=O)[C@@H](C)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r| Show InChI InChI=1S/C20H18F2N4O5/c1-10(20(29)31-2)25-16-13-4-3-7-23-17(13)26(30)19(28)15(16)18(27)24-9-11-5-6-12(21)8-14(11)22/h3-8,10,25,30H,9H2,1-2H3,(H,24,27)/t10-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020277 (CHEMBL3288826) Show SMILES NCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C18H17F2N5O3/c19-11-4-3-10(13(20)8-11)9-24-17(26)14-15(22-7-5-21)12-2-1-6-23-16(12)25(28)18(14)27/h1-4,6,8,22,28H,5,7,9,21H2,(H,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50496315 (CHEMBL3125971) Show SMILES Oc1c(C(=O)NCc2ccc(F)c(F)c2)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C16H11F2N3O4/c17-10-4-3-8(6-11(10)18)7-20-15(23)12-13(22)9-2-1-5-19-14(9)21(25)16(12)24/h1-6,22,25H,7H2,(H,20,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...				J Med Chem 57: 1573-82 (2014) Article DOI: 10.1021/jm401902n BindingDB Entry DOI: 10.7270/Q22J6FT5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50496317 (CHEMBL3125981) Show SMILES On1c2ncccc2cc(C(=O)NCc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C16H11F2N3O3/c17-11-4-3-10(13(18)7-11)8-20-15(22)12-6-9-2-1-5-19-14(9)21(24)16(12)23/h1-7,24H,8H2,(H,20,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...				J Med Chem 57: 1573-82 (2014) Article DOI: 10.1021/jm401902n BindingDB Entry DOI: 10.7270/Q22J6FT5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50486150 (CHEMBL2206768) Show SMILES Oc1cc(c2CN(Cc3ccc(F)c(Cl)c3)C(=O)c2c1O)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H18ClFN2O6S/c20-13-7-11(1-2-14(13)21)9-22-10-12-16(8-15(24)18(25)17(12)19(22)26)30(27,28)23-3-5-29-6-4-23/h1-2,7-8,24-25H,3-6,9-10H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic an...				Bioorg Med Chem Lett 22: 7309-13 (2012) Article DOI: 10.1016/j.bmcl.2012.10.088 BindingDB Entry DOI: 10.7270/Q2C53PQK
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020265 (CHEMBL3288822) Show SMILES On1c2ncccc2c(NCCc2ccccc2)c(C(=O)NCc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C24H20F2N4O3/c25-17-9-8-16(19(26)13-17)14-29-23(31)20-21(27-12-10-15-5-2-1-3-6-15)18-7-4-11-28-22(18)30(33)24(20)32/h1-9,11,13,27,33H,10,12,14H2,(H,29,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50486153 (CHEMBL2206761) Show SMILES CCN(CC)S(=O)(=O)c1cc(O)c(O)c2C(=O)N(Cc3ccc(F)c(Cl)c3)Cc12 Show InChI InChI=1S/C19H20ClFN2O5S/c1-3-23(4-2)29(27,28)16-8-15(24)18(25)17-12(16)10-22(19(17)26)9-11-5-6-14(21)13(20)7-11/h5-8,24-25H,3-4,9-10H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic an...				Bioorg Med Chem Lett 22: 7309-13 (2012) Article DOI: 10.1016/j.bmcl.2012.10.088 BindingDB Entry DOI: 10.7270/Q2C53PQK
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50496318 (CHEMBL3125972) Show SMILES Oc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C16H11F2N3O4/c17-9-4-3-8(11(18)6-9)7-20-15(23)12-13(22)10-2-1-5-19-14(10)21(25)16(12)24/h1-6,22,25H,7H2,(H,20,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...				J Med Chem 57: 1573-82 (2014) Article DOI: 10.1021/jm401902n BindingDB Entry DOI: 10.7270/Q22J6FT5
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50486149 (CHEMBL2206770) Show SMILES CN(CC(O)=O)S(=O)(=O)c1cc(O)c(O)c2C(=O)N(Cc3ccc(F)c(Cl)c3)Cc12 Show InChI InChI=1S/C18H16ClFN2O7S/c1-21(8-15(24)25)30(28,29)14-5-13(23)17(26)16-10(14)7-22(18(16)27)6-9-2-3-12(20)11(19)4-9/h2-5,23,26H,6-8H2,1H3,(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic an...				Bioorg Med Chem Lett 22: 7309-13 (2012) Article DOI: 10.1016/j.bmcl.2012.10.088 BindingDB Entry DOI: 10.7270/Q2C53PQK
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity expressed in Escherichia coli after 60 mins using [32P]-labeled oligonucleotide as ...				Bioorg Med Chem Lett 21: 2986-90 (2011) Article DOI: 10.1016/j.bmcl.2011.03.047 BindingDB Entry DOI: 10.7270/Q2RR222H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity expressed in Escherichia coli after 30 mins using [32P]-labeled oligonucleotide as ...				Bioorg Med Chem Lett 21: 2986-90 (2011) Article DOI: 10.1016/j.bmcl.2011.03.047 BindingDB Entry DOI: 10.7270/Q2RR222H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [1148-1435] (Human immunodeficiency virus type 1)	BDBM86654 (Bicyclic hydroxy-1H-pyrrolopyridine-trione, 1) Show SMILES Cc1nnc(o1)C(=O)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H20FN5O5/c1-10-24-25-17(31-10)15(28)20(2,3)19-23-13(14(27)18(30)26(19)4)16(29)22-9-11-5-7-12(21)8-6-11/h5-8,27H,9H2,1-4H3,(H,22,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description The compound were evaluated in biochemical IN (integrase) assay that measure inhibitory potency (IC50 values)against both the 3'-processing(3'...				Chem Biol Drug Des 79: 157-65 (2012) Article DOI: 10.1111/j.1747-0285.2011.01270.x BindingDB Entry DOI: 10.7270/Q29K48TV
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity expressed in Escherichia coli after 60 mins using [32P]-labeled oligonucleotide as ...				Bioorg Med Chem Lett 21: 2986-90 (2011) Article DOI: 10.1016/j.bmcl.2011.03.047 BindingDB Entry DOI: 10.7270/Q2RR222H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020263 (CHEMBL3288820) Show SMILES On1c2ncccc2c(N2CCOCC2)c(C(=O)NCc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C20H18F2N4O4/c21-13-4-3-12(15(22)10-13)11-24-19(27)16-17(25-6-8-30-9-7-25)14-2-1-5-23-18(14)26(29)20(16)28/h1-5,10,29H,6-9,11H2,(H,24,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50486160 (CHEMBL2206769) Show SMILES OC(=O)CNS(=O)(=O)c1cc(O)c(O)c2C(=O)N(Cc3ccc(F)c(Cl)c3)Cc12 Show InChI InChI=1S/C17H14ClFN2O7S/c18-10-3-8(1-2-11(10)19)6-21-7-9-13(29(27,28)20-5-14(23)24)4-12(22)16(25)15(9)17(21)26/h1-4,20,22,25H,5-7H2,(H,23,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic an...				Bioorg Med Chem Lett 22: 7309-13 (2012) Article DOI: 10.1016/j.bmcl.2012.10.088 BindingDB Entry DOI: 10.7270/Q2C53PQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50130699 (1-(5-Hydroxymethyl-2,5-dihydro-furan-2-yl)-5-methy...) Show SMILES Cc1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C=C2)c(=O)[nH]c1=O |c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/p-4/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibitory concentration required against Reverse transcriptase (RT)				J Med Chem 46: 3292-9 (2003) Article DOI: 10.1021/jm030116g BindingDB Entry DOI: 10.7270/Q2PR7WRP
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020262 (CHEMBL3288819) Show SMILES CN(C)c1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 Show InChI InChI=1S/C18H16F2N4O3/c1-23(2)15-12-4-3-7-21-16(12)24(27)18(26)14(15)17(25)22-9-10-5-6-11(19)8-13(10)20/h3-8,27H,9H2,1-2H3,(H,22,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480538 (CHEMBL557899) Show SMILES Oc1ccc2CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c2c1O Show InChI InChI=1S/C15H11Cl2NO3/c16-10-3-1-8(5-11(10)17)6-18-7-9-2-4-12(19)14(20)13(9)15(18)21/h1-5,19-20H,6-7H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of magnesium				Bioorg Med Chem Lett 19: 2714-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.122 BindingDB Entry DOI: 10.7270/Q2KK9FMM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480524 (CHEMBL562366) Show SMILES Oc1ccc2C(=O)N(Cc3ccc(F)c(F)c3)C(=O)c2c1O Show InChI InChI=1S/C15H9F2NO4/c16-9-3-1-7(5-10(9)17)6-18-14(21)8-2-4-11(19)13(20)12(8)15(18)22/h1-5,19-20H,6H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of magnesium				Bioorg Med Chem Lett 19: 2714-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.122 BindingDB Entry DOI: 10.7270/Q2KK9FMM
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1029,C879S]/[600-1159,C879S] (Human immunodeficiency virus type 1)	BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)| Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	8.0	37
NCI-FCRDC					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 50: 4003-4015 (2007) Article DOI: 10.1021/jm060103d BindingDB Entry DOI: 10.7270/Q25M6409
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50486165 (CHEMBL2206762) Show SMILES Oc1cc(c2CN(Cc3ccc(F)c(Cl)c3)C(=O)c2c1O)S(=O)(=O)NCCCBr Show InChI InChI=1S/C18H17BrClFN2O5S/c19-4-1-5-22-29(27,28)15-7-14(24)17(25)16-11(15)9-23(18(16)26)8-10-2-3-13(21)12(20)6-10/h2-3,6-7,22,24-25H,1,4-5,8-9H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic an...				Bioorg Med Chem Lett 22: 7309-13 (2012) Article DOI: 10.1016/j.bmcl.2012.10.088 BindingDB Entry DOI: 10.7270/Q2C53PQK
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480544 (CHEMBL550776) Show SMILES Oc1ccc2C(=O)N(Cc3ccc(Cl)c(Cl)c3)C(=O)c2c1O Show InChI InChI=1S/C15H9Cl2NO4/c16-9-3-1-7(5-10(9)17)6-18-14(21)8-2-4-11(19)13(20)12(8)15(18)22/h1-5,19-20H,6H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of magnesium				Bioorg Med Chem Lett 19: 2714-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.122 BindingDB Entry DOI: 10.7270/Q2KK9FMM
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50481090 (CHEMBL567882) Show SMILES Cc1cccc2COP(=O)(OC[C@H]3C[C@H](C[C@@H]3O)n3cc(C)c(=O)[nH]c3=O)Oc12 |r| Show InChI InChI=1S/C19H23N2O7P/c1-11-4-3-5-13-9-26-29(25,28-17(11)13)27-10-14-6-15(7-16(14)22)21-8-12(2)18(23)20-19(21)24/h3-5,8,14-16,22H,6-7,9-10H2,1-2H3,(H,20,23,24)/t14-,15-,16+,29?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 wild type reverse transcriptase-mediated viral DNA synthesis in human HOS-313 cells expressing HSV thymidine kinase assessed as lu...				J Med Chem 52: 5356-64 (2009) Article DOI: 10.1021/jm801176e BindingDB Entry DOI: 10.7270/Q29026MQ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50486154 (CHEMBL2206760) Show SMILES CNS(=O)(=O)c1cc(O)c(O)c2C(=O)N(Cc3ccc(F)c(Cl)c3)Cc12 Show InChI InChI=1S/C16H14ClFN2O5S/c1-19-26(24,25)13-5-12(21)15(22)14-9(13)7-20(16(14)23)6-8-2-3-11(18)10(17)4-8/h2-5,19,21-22H,6-7H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic an...				Bioorg Med Chem Lett 22: 7309-13 (2012) Article DOI: 10.1016/j.bmcl.2012.10.088 BindingDB Entry DOI: 10.7270/Q2C53PQK
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020256 (CHEMBL3288815) Show SMILES On1c2ncccc2c(Nc2ccc(cc2)-c2ccc(cc2)C#N)c(C(=O)NCc2ccc(F)cc2F)c1=O Show InChI InChI=1S/C29H19F2N5O3/c30-21-10-7-20(24(31)14-21)16-34-28(37)25-26(23-2-1-13-33-27(23)36(39)29(25)38)35-22-11-8-19(9-12-22)18-5-3-17(15-32)4-6-18/h1-14,35,39H,16H2,(H,34,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50020257 (CHEMBL3288816) Show SMILES Nc1ccc(cc1)-c1ccc(Nc2c(C(=O)NCc3ccc(F)cc3F)c(=O)n(O)c3ncccc23)cc1 Show InChI InChI=1S/C28H21F2N5O3/c29-19-8-3-18(23(30)14-19)15-33-27(36)24-25(22-2-1-13-32-26(22)35(38)28(24)37)34-21-11-6-17(7-12-21)16-4-9-20(31)10-5-16/h1-14,34,38H,15,31H2,(H,33,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate				J Med Chem 57: 5190-202 (2014) Article DOI: 10.1021/jm5001908 BindingDB Entry DOI: 10.7270/Q2JS9S0F
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480524 (CHEMBL562366) Show SMILES Oc1ccc2C(=O)N(Cc3ccc(F)c(F)c3)C(=O)c2c1O Show InChI InChI=1S/C15H9F2NO4/c16-9-3-1-7(5-10(9)17)6-18-14(21)8-2-4-11(19)13(20)12(8)15(18)22/h1-5,19-20H,6H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity expressed in Escherichia coli after 30 mins using [32P]-labeled oligonucleotide as ...				Bioorg Med Chem Lett 21: 2986-90 (2011) Article DOI: 10.1016/j.bmcl.2011.03.047 BindingDB Entry DOI: 10.7270/Q2RR222H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477854 (CHEMBL253342) Show SMILES Oc1ccc2CN(Cc3ccc(F)c(Cl)c3)C(=O)c2c1O Show InChI InChI=1S/C15H11ClFNO3/c16-10-5-8(1-3-11(10)17)6-18-7-9-2-4-12(19)14(20)13(9)15(18)21/h1-5,19-20H,6-7H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity in presence of magnesium				J Med Chem 51: 251-9 (2008) Article DOI: 10.1021/jm070715d BindingDB Entry DOI: 10.7270/Q22Z189M
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480552 (CHEMBL559284) Show SMILES Oc1ccc2C(=O)N(Cc3ccc(F)c(Cl)c3)C(=O)c2c1O Show InChI InChI=1S/C15H9ClFNO4/c16-9-5-7(1-3-10(9)17)6-18-14(21)8-2-4-11(19)13(20)12(8)15(18)22/h1-5,19-20H,6H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity expressed in Escherichia coli after 30 mins using [32P]-labeled oligonucleotide as ...				Bioorg Med Chem Lett 21: 2986-90 (2011) Article DOI: 10.1016/j.bmcl.2011.03.047 BindingDB Entry DOI: 10.7270/Q2RR222H
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480552 (CHEMBL559284) Show SMILES Oc1ccc2C(=O)N(Cc3ccc(F)c(Cl)c3)C(=O)c2c1O Show InChI InChI=1S/C15H9ClFNO4/c16-9-5-7(1-3-10(9)17)6-18-14(21)8-2-4-11(19)13(20)12(8)15(18)22/h1-5,19-20H,6H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of magnesium				Bioorg Med Chem Lett 19: 2714-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.122 BindingDB Entry DOI: 10.7270/Q2KK9FMM
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50481091 (CHEMBL27473) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)C2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C11H16N2O4/c1-6-4-13(11(17)12-10(6)16)8-2-7(5-14)9(15)3-8/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8-,9+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase M184V mutant-mediated viral DNA synthesis in human HOS-313 cells expressing HSV thymidine kinase assessed as...				J Med Chem 52: 5356-64 (2009) Article DOI: 10.1021/jm801176e BindingDB Entry DOI: 10.7270/Q29026MQ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50486158 (CHEMBL2206773) Show SMILES CC(C)c1c(O)c(O)c2C(=O)N(Cc3ccc(F)c(Cl)c3)Cc2c1S(=O)(=O)N(C)C Show InChI InChI=1S/C20H22ClFN2O5S/c1-10(2)15-17(25)18(26)16-12(19(15)30(28,29)23(3)4)9-24(20(16)27)8-11-5-6-14(22)13(21)7-11/h5-7,10,25-26H,8-9H2,1-4H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic an...				Bioorg Med Chem Lett 22: 7309-13 (2012) Article DOI: 10.1016/j.bmcl.2012.10.088 BindingDB Entry DOI: 10.7270/Q2C53PQK
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50486161 (CHEMBL2206767) Show SMILES NCCN1CCN(CC1)S(=O)(=O)c1cc(O)c(O)c2C(=O)N(Cc3ccc(F)c(Cl)c3)Cc12 Show InChI InChI=1S/C21H24ClFN4O5S/c22-15-9-13(1-2-16(15)23)11-26-12-14-18(10-17(28)20(29)19(14)21(26)30)33(31,32)27-7-5-25(4-3-24)6-8-27/h1-2,9-10,28-29H,3-8,11-12,24H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Frederick National Laboratory for Cancer Research Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic an...				Bioorg Med Chem Lett 22: 7309-13 (2012) Article DOI: 10.1016/j.bmcl.2012.10.088 BindingDB Entry DOI: 10.7270/Q2C53PQK
					More data for this Ligand-Target Pair

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