Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'gabryelski' and Initial = 'lj'   

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
Integrase (Human immunodeficiency virus 1)	BDBM50184680 (CHEMBL210234 | N-(4-fluorobenzyl)-8-hydroxy-5-(N-m...) Show SMILES CN(C(=O)C(=O)N1CCCCC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C24H24FN5O4/c1-29(23(33)24(34)30-12-3-2-4-13-30)21-17-6-5-11-26-18(17)20(31)19(28-21)22(32)27-14-15-7-9-16(25)10-8-15/h5-11,31H,2-4,12-14H2,1H3,(H,27,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477418 (CHEMBL246744) Show SMILES CNC(=O)Cc1ccccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O Show InChI InChI=1S/C23H25N5O5S/c1-24-18(29)13-15-7-2-3-8-16(15)14-26-23(31)20-21(30)19-17(9-6-10-25-19)22(27-20)28-11-4-5-12-34(28,32)33/h2-3,6-10,30H,4-5,11-14H2,1H3,(H,24,29)(H,26,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase catalyzed strand transfer activity				Bioorg Med Chem Lett 17: 1392-8 (2007) Article DOI: 10.1016/j.bmcl.2006.11.080 BindingDB Entry DOI: 10.7270/Q2TM7DWJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50171810 (5-(1,3-Dimethyl-2,6-dioxo-hexahydro-pyrimidin-4-yl...) Show SMILES CN1C(CC(=O)N(C)C1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C22H20FN5O4/c1-27-15(10-16(29)28(2)22(27)32)17-14-4-3-9-24-18(14)20(30)19(26-17)21(31)25-11-12-5-7-13(23)8-6-12/h3-9,15,30H,10-11H2,1-2H3,(H,25,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer for HIV-1 integrase				Bioorg Med Chem Lett 15: 4550-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.105 BindingDB Entry DOI: 10.7270/Q2BK1BWR
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50230553 (3-Benzenesulfonyl-5-chloro-2-(5-methyl-1H-imidazol...) Show SMILES Cc1c[nH]c(n1)-c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H14ClN3O2S/c1-11-10-20-18(21-11)16-17(14-9-12(19)7-8-15(14)22-16)25(23,24)13-5-3-2-4-6-13/h2-10,22H,1H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HIV NL43 recombinant reverse transcriptase K103N mutant by scintillation proximity assay				Bioorg Med Chem Lett 18: 554-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.085 BindingDB Entry DOI: 10.7270/Q2F76GBM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23400 ((2Z)-4-(3-benzylphenyl)-2-hydroxy-4-oxobut-2-enoic...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2)c1 Show InChI InChI=1S/C17H14O4/c18-15(11-16(19)17(20)21)14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the strand transfer of the integration process catalyzed by HIV integrase				J Med Chem 46: 453-6 (2003) Article DOI: 10.1021/jm025553u BindingDB Entry DOI: 10.7270/Q24T6HRG
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123468 (CHEMBL32865 | [3-Benzyl-5-(1,1-dioxo-1lambda 6 -is...) Show SMILES Oc1c(ncc2cccnc12)C(=O)c1cc(CN2CCCS2(=O)=O)cc(Cc2ccccc2)c1 Show InChI InChI=1S/C26H23N3O4S/c30-25(24-26(31)23-21(16-28-24)8-4-9-27-23)22-14-19(12-18-6-2-1-3-7-18)13-20(15-22)17-29-10-5-11-34(29,32)33/h1-4,6-9,13-16,31H,5,10-12,17H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the strand transfer of the integration process catalyzed by HIV integrase				J Med Chem 46: 453-6 (2003) Article DOI: 10.1021/jm025553u BindingDB Entry DOI: 10.7270/Q24T6HRG
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477423 (CHEMBL245519) Show SMILES NS(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O Show InChI InChI=1S/C20H20FN5O6S2/c21-13-6-5-12(15(10-13)34(22,31)32)11-24-20(28)17-18(27)16-14(4-3-7-23-16)19(25-17)26-8-1-2-9-33(26,29)30/h3-7,10,27H,1-2,8-9,11H2,(H,24,28)(H2,22,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase catalyzed strand transfer activity				Bioorg Med Chem Lett 17: 1392-8 (2007) Article DOI: 10.1016/j.bmcl.2006.11.080 BindingDB Entry DOI: 10.7270/Q2TM7DWJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477422 (CHEMBL245719 | L-900564) Show SMILES CNC(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O Show InChI InChI=1S/C22H22FN5O5S/c1-24-21(30)16-11-14(23)7-6-13(16)12-26-22(31)18-19(29)17-15(5-4-8-25-17)20(27-18)28-9-2-3-10-34(28,32)33/h4-8,11,29H,2-3,9-10,12H2,1H3,(H,24,30)(H,26,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase catalyzed strand transfer activity				Bioorg Med Chem Lett 17: 1392-8 (2007) Article DOI: 10.1016/j.bmcl.2006.11.080 BindingDB Entry DOI: 10.7270/Q2TM7DWJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50021581 (CHEMBL414850 | L-870810) Show SMILES O\C(=N/Cc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)	PDB UniProtKB/TrEMBL B.MOAD 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase catalyzed strand transfer activity				Bioorg Med Chem Lett 17: 1392-8 (2007) Article DOI: 10.1016/j.bmcl.2006.11.080 BindingDB Entry DOI: 10.7270/Q2TM7DWJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50356283 (CHEMBL246535) Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccccc1 Show InChI InChI=1S/C20H20N4O4S/c25-18-16-15(9-6-10-21-16)19(24-11-4-5-12-29(24,27)28)23-17(18)20(26)22-13-14-7-2-1-3-8-14/h1-3,6-10,25H,4-5,11-13H2,(H,22,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase catalyzed strand transfer activity				Bioorg Med Chem Lett 17: 1392-8 (2007) Article DOI: 10.1016/j.bmcl.2006.11.080 BindingDB Entry DOI: 10.7270/Q2TM7DWJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477236 (CHEMBL236581) Show SMILES Oc1c2c(CCN(Cc3ccc(F)cc3)C2=O)n2CCN(Cc3ccc(F)cc3)C(=O)c12 Show InChI InChI=1S/C24H21F2N3O3/c25-17-5-1-15(2-6-17)13-27-10-9-19-20(23(27)31)22(30)21-24(32)28(11-12-29(19)21)14-16-3-7-18(26)8-4-16/h1-8,30H,9-14H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 6511-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.086 BindingDB Entry DOI: 10.7270/Q27S7RK3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477235 (CHEMBL240692) Show SMILES CCOC(=O)c1cn2CCN(Cc3ccc(Cl)c(Cl)c3)C(=O)c2c1O Show InChI InChI=1S/C17H16Cl2N2O4/c1-2-25-17(24)11-9-20-5-6-21(16(23)14(20)15(11)22)8-10-3-4-12(18)13(19)7-10/h3-4,7,9,22H,2,5-6,8H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 6511-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.086 BindingDB Entry DOI: 10.7270/Q27S7RK3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477231 (CHEMBL391431) Show SMILES CN1CCn2c3CCN(Cc4ccc(F)cc4)C(=O)c3c(O)c2C1=O Show InChI InChI=1S/C18H18FN3O3/c1-20-8-9-22-13-6-7-21(10-11-2-4-12(19)5-3-11)17(24)14(13)16(23)15(22)18(20)25/h2-5,23H,6-10H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 6511-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.086 BindingDB Entry DOI: 10.7270/Q27S7RK3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477226 (CHEMBL428565) Show SMILES OC(=O)c1cn2CCN(Cc3cccc(Cl)c3)C(=O)c2c1O Show InChI InChI=1S/C15H13ClN2O4/c16-10-3-1-2-9(6-10)7-18-5-4-17-8-11(15(21)22)13(19)12(17)14(18)20/h1-3,6,8,19H,4-5,7H2,(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 6511-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.086 BindingDB Entry DOI: 10.7270/Q27S7RK3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477224 (CHEMBL436631) Show SMILES CN1CCc2c(c(O)c3C(=O)N(Cc4ccc(F)cc4)CCn23)C1=O Show InChI InChI=1S/C18H18FN3O3/c1-20-7-6-13-14(17(20)24)16(23)15-18(25)21(8-9-22(13)15)10-11-2-4-12(19)5-3-11/h2-5,23H,6-10H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 6511-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.086 BindingDB Entry DOI: 10.7270/Q27S7RK3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184681 (CHEMBL379658 | N-(4-fluorobenzyl)-5-(4-ethyl-2,3-d...) Show SMILES CCN1CCN(C(=O)C1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C22H20FN5O4/c1-2-27-10-11-28(22(32)21(27)31)19-15-4-3-9-24-16(15)18(29)17(26-19)20(30)25-12-13-5-7-14(23)8-6-13/h3-9,29H,2,10-12H2,1H3,(H,25,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50171809 (5-(2,6-Dioxo-hexahydro-pyrimidin-4-yl)-8-hydroxy-[...) Show SMILES Oc1c(nc(C2CC(=O)NC(=O)N2)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H16FN5O4/c21-11-5-3-10(4-6-11)9-23-19(29)17-18(28)16-12(2-1-7-22-16)15(26-17)13-8-14(27)25-20(30)24-13/h1-7,13,28H,8-9H2,(H,23,29)(H2,24,25,27,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer for HIV-1 integrase				Bioorg Med Chem Lett 15: 4550-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.105 BindingDB Entry DOI: 10.7270/Q2BK1BWR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50171811 (8-Hydroxy-5-(1-methyl-2,6-dioxo-hexahydro-pyrimidi...) Show SMILES CN1C(=O)CC(NC1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C21H18FN5O4/c1-27-15(28)9-14(25-21(27)31)16-13-3-2-8-23-17(13)19(29)18(26-16)20(30)24-10-11-4-6-12(22)7-5-11/h2-8,14,29H,9-10H2,1H3,(H,24,30)(H,25,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer for HIV-1 integrase				Bioorg Med Chem Lett 15: 4550-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.105 BindingDB Entry DOI: 10.7270/Q2BK1BWR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50171812 (8-Hydroxy-5-(3-methyl-2,6-dioxo-hexahydro-pyrimidi...) Show SMILES CN1C(CC(=O)N=C1O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 |c:6| Show InChI InChI=1S/C21H18FN5O4/c1-27-14(9-15(28)25-21(27)31)16-13-3-2-8-23-17(13)19(29)18(26-16)20(30)24-10-11-4-6-12(22)7-5-11/h2-8,14,29H,9-10H2,1H3,(H,24,30)(H,25,28,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer for HIV-1 integrase				Bioorg Med Chem Lett 15: 4550-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.105 BindingDB Entry DOI: 10.7270/Q2BK1BWR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477421 (CHEMBL394251) Show SMILES CN(C)C(=O)Cc1ccccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O Show InChI InChI=1S/C24H27N5O5S/c1-28(2)19(30)14-16-8-3-4-9-17(16)15-26-24(32)21-22(31)20-18(10-7-11-25-20)23(27-21)29-12-5-6-13-35(29,33)34/h3-4,7-11,31H,5-6,12-15H2,1-2H3,(H,26,32)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase catalyzed strand transfer activity				Bioorg Med Chem Lett 17: 1392-8 (2007) Article DOI: 10.1016/j.bmcl.2006.11.080 BindingDB Entry DOI: 10.7270/Q2TM7DWJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184677 (CHEMBL378029 | N-(4-fluorobenzyl)-8-hydroxy-5-(N-m...) Show SMILES CNC(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C20H18FN5O4/c1-22-19(29)20(30)26(2)17-13-4-3-9-23-14(13)16(27)15(25-17)18(28)24-10-11-5-7-12(21)8-6-11/h3-9,27H,10H2,1-2H3,(H,22,29)(H,24,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477238 (CHEMBL240481) Show SMILES CCOC(=O)c1cn2CCN(Cc3ccc(F)c(Cl)c3)C(=O)c2c1O Show InChI InChI=1S/C17H16ClFN2O4/c1-2-25-17(24)11-9-20-5-6-21(16(23)14(20)15(11)22)8-10-3-4-13(19)12(18)7-10/h3-4,7,9,22H,2,5-6,8H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 6511-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.086 BindingDB Entry DOI: 10.7270/Q27S7RK3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184687 (CHEMBL210233 | N-(4-fluorobenzyl)-5-(2-amino-N-met...) Show SMILES CN(C(=O)C(N)=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C19H16FN5O4/c1-25(19(29)16(21)27)17-12-3-2-8-22-13(12)15(26)14(24-17)18(28)23-9-10-4-6-11(20)7-5-10/h2-8,26H,9H2,1H3,(H2,21,27)(H,23,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50477954 (CHEMBL252405) Show SMILES Fc1cccc(Cl)c1CNC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C20H18BrClFN3O3S/c21-12-6-7-17-13(10-12)19(30(28,29)26-8-1-2-9-26)18(25-17)20(27)24-11-14-15(22)4-3-5-16(14)23/h3-7,10,25H,1-2,8-9,11H2,(H,24,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HIV NL43 recombinant reverse transcriptase K103N mutant by scintillation proximity assay				Bioorg Med Chem Lett 18: 554-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.085 BindingDB Entry DOI: 10.7270/Q2F76GBM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477113 (CHEMBL237942) Show SMILES Oc1c(O)c2C(=O)N(Cc3ccc(F)cc3)CCn2c(=O)c1I Show InChI InChI=1S/C15H12FIN2O4/c16-9-3-1-8(2-4-9)7-18-5-6-19-11(15(18)23)13(21)12(20)10(17)14(19)22/h1-4,20-21H,5-7H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity				Bioorg Med Chem Lett 17: 5595-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.092 BindingDB Entry DOI: 10.7270/Q2P271W7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477112 (CHEMBL237728) Show SMILES Oc1c(O)c2C(=O)N(Cc3ccc(F)cc3)CCn2c(=O)c1C#N Show InChI InChI=1S/C16H12FN3O4/c17-10-3-1-9(2-4-10)8-19-5-6-20-12(16(19)24)14(22)13(21)11(7-18)15(20)23/h1-4,21-22H,5-6,8H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity				Bioorg Med Chem Lett 17: 5595-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.092 BindingDB Entry DOI: 10.7270/Q2P271W7
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50477958 (CHEMBL403784) Show SMILES Brc1ccc2[nH]c(C(=O)NCc3ccnc4ccccc34)c(c2c1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C23H21BrN4O3S/c24-16-7-8-20-18(13-16)22(32(30,31)28-11-3-4-12-28)21(27-20)23(29)26-14-15-9-10-25-19-6-2-1-5-17(15)19/h1-2,5-10,13,27H,3-4,11-12,14H2,(H,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HIV NL43 recombinant reverse transcriptase K103N mutant by scintillation proximity assay				Bioorg Med Chem Lett 18: 554-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.085 BindingDB Entry DOI: 10.7270/Q2F76GBM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184682 (CHEMBL377759 | N-(4-fluorobenzyl)-8-hydroxy-5-(N-m...) Show SMILES CN(C(C)=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C19H17FN4O3/c1-11(25)24(2)18-14-4-3-9-21-15(14)17(26)16(23-18)19(27)22-10-12-5-7-13(20)8-6-12/h3-9,26H,10H2,1-2H3,(H,22,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184685 (CHEMBL209872 | N-(4-fluorobenzyl)-5-(4-acetylpiper...) Show SMILES CC(=O)N1CCN(CC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C22H22FN5O3/c1-14(29)27-9-11-28(12-10-27)21-17-3-2-8-24-18(17)20(30)19(26-21)22(31)25-13-15-4-6-16(23)7-5-15/h2-8,30H,9-13H2,1H3,(H,25,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477119 (CHEMBL394905) Show SMILES Oc1c(O)c2C(=O)N(Cc3ccc(F)cc3)CCn2c(=O)c1Br Show InChI InChI=1S/C15H12BrFN2O4/c16-10-12(20)13(21)11-15(23)18(5-6-19(11)14(10)22)7-8-1-3-9(17)4-2-8/h1-4,20-21H,5-7H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity				Bioorg Med Chem Lett 17: 5595-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.092 BindingDB Entry DOI: 10.7270/Q2P271W7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477419 (CHEMBL247570) Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O Show InChI InChI=1S/C22H24FN5O6S2/c1-27(2)36(33,34)17-12-15(23)8-7-14(17)13-25-22(30)19-20(29)18-16(6-5-9-24-18)21(26-19)28-10-3-4-11-35(28,31)32/h5-9,12,29H,3-4,10-11,13H2,1-2H3,(H,25,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase catalyzed strand transfer activity				Bioorg Med Chem Lett 17: 1392-8 (2007) Article DOI: 10.1016/j.bmcl.2006.11.080 BindingDB Entry DOI: 10.7270/Q2TM7DWJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477230 (CHEMBL240479) Show SMILES CCOC(=O)c1cn2CCN(Cc3cccc(Cl)c3)C(=O)c2c1O Show InChI InChI=1S/C17H17ClN2O4/c1-2-24-17(23)13-10-19-6-7-20(16(22)14(19)15(13)21)9-11-4-3-5-12(18)8-11/h3-5,8,10,21H,2,6-7,9H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 6511-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.086 BindingDB Entry DOI: 10.7270/Q27S7RK3
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50477967 (CHEMBL252406) Show SMILES Oc1ccccc1CNC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C20H20BrN3O4S/c21-14-7-8-16-15(11-14)19(29(27,28)24-9-3-4-10-24)18(23-16)20(26)22-12-13-5-1-2-6-17(13)25/h1-2,5-8,11,23,25H,3-4,9-10,12H2,(H,22,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HIV NL43 recombinant reverse transcriptase K103N mutant by scintillation proximity assay				Bioorg Med Chem Lett 18: 554-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.085 BindingDB Entry DOI: 10.7270/Q2F76GBM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM28236 (CHEMBL199145 | N-[(4-fluorophenyl)methyl]-8-hydrox...) Show SMILES Oc1c(ncc2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C16H12FN3O2/c17-12-5-3-10(4-6-12)8-20-16(22)14-15(21)13-11(9-19-14)2-1-7-18-13/h1-7,9,21H,8H2,(H,20,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase catalyzed strand transfer activity				Bioorg Med Chem Lett 17: 1392-8 (2007) Article DOI: 10.1016/j.bmcl.2006.11.080 BindingDB Entry DOI: 10.7270/Q2TM7DWJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM28236 (CHEMBL199145 | N-[(4-fluorophenyl)methyl]-8-hydrox...) Show SMILES Oc1c(ncc2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C16H12FN3O2/c17-12-5-3-10(4-6-12)8-20-16(22)14-15(21)13-11(9-19-14)2-1-7-18-13/h1-7,9,21H,8H2,(H,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer for HIV-1 integrase				Bioorg Med Chem Lett 15: 4550-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.105 BindingDB Entry DOI: 10.7270/Q2BK1BWR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM28236 (CHEMBL199145 | N-[(4-fluorophenyl)methyl]-8-hydrox...) Show SMILES Oc1c(ncc2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C16H12FN3O2/c17-12-5-3-10(4-6-12)8-20-16(22)14-15(21)13-11(9-19-14)2-1-7-18-13/h1-7,9,21H,8H2,(H,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477229 (CHEMBL236409) Show SMILES CNC(=O)c1cn2CCN(Cc3ccc(Cl)c(Cl)c3)C(=O)c2c1O Show InChI InChI=1S/C16H15Cl2N3O3/c1-19-15(23)10-8-20-4-5-21(16(24)13(20)14(10)22)7-9-2-3-11(17)12(18)6-9/h2-3,6,8,22H,4-5,7H2,1H3,(H,19,23)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 6511-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.086 BindingDB Entry DOI: 10.7270/Q27S7RK3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477228 (CHEMBL239413) Show SMILES CCOC(=O)c1cn2CCN(Cc3ccc(F)cc3)C(=O)c2c1O Show InChI InChI=1S/C17H17FN2O4/c1-2-24-17(23)13-10-19-7-8-20(16(22)14(19)15(13)21)9-11-3-5-12(18)6-4-11/h3-6,10,21H,2,7-9H2,1H3	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 6511-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.086 BindingDB Entry DOI: 10.7270/Q27S7RK3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477227 (CHEMBL240058) Show SMILES CCOC(=O)c1cn2CCN(Cc3ccc(Cl)cc3)C(=O)c2c1O Show InChI InChI=1S/C17H17ClN2O4/c1-2-24-17(23)13-10-19-7-8-20(16(22)14(19)15(13)21)9-11-3-5-12(18)6-4-11/h3-6,10,21H,2,7-9H2,1H3	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 6511-5 (2007) Article DOI: 10.1016/j.bmcl.2007.09.086 BindingDB Entry DOI: 10.7270/Q27S7RK3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184683 (CHEMBL441683 | N-(4-fluorobenzyl)-8-hydroxy-5-(4-m...) Show SMILES CN1CCN(CC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C21H22FN5O2/c1-26-9-11-27(12-10-26)20-16-3-2-8-23-17(16)19(28)18(25-20)21(29)24-13-14-4-6-15(22)7-5-14/h2-8,28H,9-13H2,1H3,(H,24,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477111 (CHEMBL237727) Show SMILES Oc1cc(=O)n2CCN(Cc3ccc(F)c(Cl)c3)C(=O)c2c1O Show InChI InChI=1S/C15H12ClFN2O4/c16-9-5-8(1-2-10(9)17)7-18-3-4-19-12(21)6-11(20)14(22)13(19)15(18)23/h1-2,5-6,20,22H,3-4,7H2	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity				Bioorg Med Chem Lett 17: 5595-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.092 BindingDB Entry DOI: 10.7270/Q2P271W7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184686 (CHEMBL426686 | N-(7-{[(4-fluorobenzyl)amino]carbon...) Show SMILES CN(C)C(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C21H20FN5O4/c1-26(2)20(30)21(31)27(3)18-14-5-4-10-23-15(14)17(28)16(25-18)19(29)24-11-12-6-8-13(22)9-7-12/h4-10,28H,11H2,1-3H3,(H,24,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477114 (CHEMBL237726) Show SMILES Oc1cc(=O)n2CCN(Cc3cccc(Cl)c3)C(=O)c2c1O Show InChI InChI=1S/C15H13ClN2O4/c16-10-3-1-2-9(6-10)8-17-4-5-18-12(20)7-11(19)14(21)13(18)15(17)22/h1-3,6-7,19,21H,4-5,8H2	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity				Bioorg Med Chem Lett 17: 5595-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.092 BindingDB Entry DOI: 10.7270/Q2P271W7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184679 (CHEMBL209307 | N-(4-fluorobenzyl)-8-hydroxy-5-(N-m...) Show SMILES CN(C(=O)C(=O)N1CCCC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C23H22FN5O4/c1-28(22(32)23(33)29-11-2-3-12-29)20-16-5-4-10-25-17(16)19(30)18(27-20)21(31)26-13-14-6-8-15(24)9-7-14/h4-10,30H,2-3,11-13H2,1H3,(H,26,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of strand transfer process of HIV1 integrase				Bioorg Med Chem Lett 16: 2900-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.003 BindingDB Entry DOI: 10.7270/Q2T43SP2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477110 (CHEMBL237725) Show SMILES Oc1cc(=O)n2ccn(Cc3ccc(F)cc3)c(=O)c2c1O Show InChI InChI=1S/C15H11FN2O4/c16-10-3-1-9(2-4-10)8-17-5-6-18-12(20)7-11(19)14(21)13(18)15(17)22/h1-7,19,21H,8H2	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase strand transfer activity				Bioorg Med Chem Lett 17: 5595-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.092 BindingDB Entry DOI: 10.7270/Q2P271W7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123469 ((3-Benzyl-phenyl)-(8-hydroxy-[1,6]naphthyridin-7-y...) Show SMILES Oc1c(ncc2cccnc12)C(=O)c1cccc(Cc2ccccc2)c1 Show InChI InChI=1S/C22H16N2O2/c25-21(20-22(26)19-18(14-24-20)10-5-11-23-19)17-9-4-8-16(13-17)12-15-6-2-1-3-7-15/h1-11,13-14,26H,12H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the strand transfer of the integration process catalyzed by HIV integrase				J Med Chem 46: 453-6 (2003) Article DOI: 10.1021/jm025553u BindingDB Entry DOI: 10.7270/Q24T6HRG
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50477951 (CHEMBL252608) Show SMILES Cc1cnc([nH]1)-c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C16H17BrN4O2S/c1-10-9-18-16(19-10)14-15(24(22,23)21-6-2-3-7-21)12-8-11(17)4-5-13(12)20-14/h4-5,8-9,20H,2-3,6-7H2,1H3,(H,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HIV NL43 recombinant reverse transcriptase K103N mutant by scintillation proximity assay				Bioorg Med Chem Lett 18: 554-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.085 BindingDB Entry DOI: 10.7270/Q2F76GBM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50477424 (CHEMBL437940) Show SMILES CNS(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O Show InChI InChI=1S/C21H22FN5O6S2/c1-23-35(32,33)16-11-14(22)7-6-13(16)12-25-21(29)18-19(28)17-15(5-4-8-24-17)20(26-18)27-9-2-3-10-34(27,30)31/h4-8,11,23,28H,2-3,9-10,12H2,1H3,(H,25,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase catalyzed strand transfer activity				Bioorg Med Chem Lett 17: 1392-8 (2007) Article DOI: 10.1016/j.bmcl.2006.11.080 BindingDB Entry DOI: 10.7270/Q2TM7DWJ
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50477955 (CHEMBL400045) Show SMILES Oc1cccc2nc([nH]c12)-c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C19H17BrN4O3S/c20-11-6-7-13-12(10-11)18(28(26,27)24-8-1-2-9-24)17(21-13)19-22-14-4-3-5-15(25)16(14)23-19/h3-7,10,21,25H,1-2,8-9H2,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of HIV NL43 recombinant reverse transcriptase K103N mutant by scintillation proximity assay				Bioorg Med Chem Lett 18: 554-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.085 BindingDB Entry DOI: 10.7270/Q2F76GBM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123471 ((4-Benzyl-pyridin-2-yl)-(8-hydroxy-quinolin-7-yl)-...) Show SMILES Oc1c(ccc2cccnc12)C(=O)c1cc(Cc2ccccc2)ccn1 Show InChI InChI=1S/C22H16N2O2/c25-21(18-9-8-17-7-4-11-24-20(17)22(18)26)19-14-16(10-12-23-19)13-15-5-2-1-3-6-15/h1-12,14,26H,13H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the strand transfer of the integration process catalyzed by HIV integrase				J Med Chem 46: 453-6 (2003) Article DOI: 10.1021/jm025553u BindingDB Entry DOI: 10.7270/Q24T6HRG
					More data for this Ligand-Target Pair

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