Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'witmer' and Initial = 'mv'   

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 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25330 (2-[4-(dimethylamino)oxan-4-yl]-N-[(4-fluorophenyl)...) Show SMILES CN(C)C1(CCOCC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H25FN4O4/c1-24(2)20(8-10-29-11-9-20)19-23-15(16(26)18(28)25(19)3)17(27)22-12-13-4-6-14(21)7-5-13/h4-7,26H,8-12H2,1-3H3,(H,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25329 (N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2...) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)N1CCOCC1 Show InChI InChI=1S/C20H25FN4O4/c1-20(2,25-8-10-29-11-9-25)19-23-15(16(26)18(28)24(19)3)17(27)22-12-13-4-6-14(21)7-5-13/h4-7,26H,8-12H2,1-3H3,(H,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25343 (N-[2-(4-{[(4-fluoro-2-methanesulfonylphenyl)methyl...) Show SMILES CN(C)C(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c(=O)n1C Show InChI InChI=1S/C21H26FN5O7S/c1-21(2,25-17(30)19(32)26(3)4)20-24-14(15(28)18(31)27(20)5)16(29)23-10-11-7-8-12(22)9-13(11)35(6,33)34/h7-9,28H,10H2,1-6H3,(H,23,29)(H,25,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25352 (N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2...) Show SMILES Cc1nnc([nH]1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H22FN7O4/c1-10-23-15(27-26-10)17(31)25-20(2,3)19-24-13(14(29)18(32)28(19)4)16(30)22-9-11-5-7-12(21)8-6-11/h5-8,29H,9H2,1-4H3,(H,22,30)(H,25,31)(H,23,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25337 (N-methyl-pyrimidinone derivative, 13 | {[2-(4-{[(4...) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)C(O)=O Show InChI InChI=1S/C18H19FN4O6/c1-18(2,22-14(26)16(28)29)17-21-11(12(24)15(27)23(17)3)13(25)20-8-9-4-6-10(19)7-5-9/h4-7,24H,8H2,1-3H3,(H,20,25)(H,22,26)(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25350 (N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[2-(1H-imid...) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)c1cnc[nH]1 Show InChI InChI=1S/C20H21FN6O4/c1-20(2,26-16(29)13-9-22-10-24-13)19-25-14(15(28)18(31)27(19)3)17(30)23-8-11-4-6-12(21)7-5-11/h4-7,9-10,28H,8H2,1-3H3,(H,22,24)(H,23,30)(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25348 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)c1cnco1 Show InChI InChI=1S/C20H20FN5O5/c1-20(2,25-16(28)13-9-22-10-31-13)19-24-14(15(27)18(30)26(19)3)17(29)23-8-11-4-6-12(21)7-5-11/h4-7,9-10,27H,8H2,1-3H3,(H,23,29)(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25347 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)c1ncccn1 Show InChI InChI=1S/C21H21FN6O4/c1-21(2,27-18(31)16-23-9-4-10-24-16)20-26-14(15(29)19(32)28(20)3)17(30)25-11-12-5-7-13(22)8-6-12/h4-10,29H,11H2,1-3H3,(H,25,30)(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25331 (2-(2-acetamidopropan-2-yl)-N-[(4-fluorophenyl)meth...) Show SMILES CC(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C18H21FN4O4/c1-10(24)22-18(2,3)17-21-13(14(25)16(27)23(17)4)15(26)20-9-11-5-7-12(19)8-6-11/h5-8,25H,9H2,1-4H3,(H,20,26)(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25349 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)c1cscn1 Show InChI InChI=1S/C20H20FN5O4S/c1-20(2,25-16(28)13-9-31-10-23-13)19-24-14(15(27)18(30)26(19)3)17(29)22-8-11-4-6-12(21)7-5-11/h4-7,9-10,27H,8H2,1-3H3,(H,22,29)(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25332 (N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(2-methanes...) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NS(C)(=O)=O Show InChI InChI=1S/C17H21FN4O5S/c1-17(2,21-28(4,26)27)16-20-12(13(23)15(25)22(16)3)14(24)19-9-10-5-7-11(18)8-6-10/h5-8,21,23H,9H2,1-4H3,(H,19,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25344 (N-[2-(4-{[(3-chloro-4-fluorophenyl)methyl]carbamoy...) Show SMILES CN(C)C(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)c(Cl)c2)c(O)c(=O)n1C Show InChI InChI=1S/C20H23ClFN5O5/c1-20(2,25-16(30)18(32)26(3)4)19-24-13(14(28)17(31)27(19)5)15(29)23-9-10-6-7-12(22)11(21)8-10/h6-8,28H,9H2,1-5H3,(H,23,29)(H,25,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					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)	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)	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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25335 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES CN(C)C(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H24FN5O5/c1-20(2,24-16(29)18(31)25(3)4)19-23-13(14(27)17(30)26(19)5)15(28)22-10-11-6-8-12(21)9-7-11/h6-9,27H,10H2,1-5H3,(H,22,28)(H,24,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					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)	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)	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)	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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25334 (2-{2-[(dimethylsulfamoyl)amino]propan-2-yl}-N-[(4-...) Show SMILES CN(C)S(=O)(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C18H24FN5O5S/c1-18(2,22-30(28,29)23(3)4)17-21-13(14(25)16(27)24(17)5)15(26)20-10-11-6-8-12(19)9-7-11/h6-9,22,25H,10H2,1-5H3,(H,20,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					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)	BDBM50479323 (CHEMBL476564) Show SMILES CCN1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C22H21FN4O3/c1-2-27-12-14(10-17(27)28)18-16-4-3-9-24-19(16)21(29)20(26-18)22(30)25-11-13-5-7-15(23)8-6-13/h3-9,14,29H,2,10-12H2,1H3,(H,25,30)	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 recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25346 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)c1cccnn1 Show InChI InChI=1S/C21H21FN6O4/c1-21(2,26-17(30)14-5-4-10-24-27-14)20-25-15(16(29)19(32)28(20)3)18(31)23-11-12-6-8-13(22)9-7-12/h4-10,29H,11H2,1-3H3,(H,23,31)(H,26,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	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 MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25336 (N-methyl-pyrimidinone derivative, 12 | methyl 0-{[...) Show SMILES COC(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C19H21FN4O6/c1-19(2,23-15(27)17(29)30-4)18-22-12(13(25)16(28)24(18)3)14(26)21-9-10-5-7-11(20)8-6-10/h5-8,25H,9H2,1-4H3,(H,21,26)(H,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25338 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES CN(C)C(=O)C(=O)N(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C21H26FN5O5/c1-21(2,27(6)19(32)18(31)25(3)4)20-24-14(15(28)17(30)26(20)5)16(29)23-11-12-7-9-13(22)10-8-12/h7-10,28H,11H2,1-6H3,(H,23,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25333 (2-{2-[(dimethylcarbamoyl)amino]propan-2-yl}-N-[(4-...) Show SMILES CN(C)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C19H24FN5O4/c1-19(2,23-18(29)24(3)4)17-22-13(14(26)16(28)25(17)5)15(27)21-10-11-6-8-12(20)9-7-11/h6-9,26H,10H2,1-5H3,(H,21,27)(H,23,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25345 (N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-ox...) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)c1ccccn1 Show InChI InChI=1S/C22H22FN5O4/c1-22(2,27-18(30)15-6-4-5-11-24-15)21-26-16(17(29)20(32)28(21)3)19(31)25-12-13-7-9-14(23)10-8-13/h4-11,29H,12H2,1-3H3,(H,25,31)(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479324 (CHEMBL476357) Show SMILES CN1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C21H19FN4O3/c1-26-11-13(9-16(26)27)17-15-3-2-8-23-18(15)20(28)19(25-17)21(29)24-10-12-4-6-14(22)7-5-12/h2-8,13,28H,9-11H2,1H3,(H,24,29)	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 using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25339 (N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2...) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)C(=O)N1CCOCC1 Show InChI InChI=1S/C22H26FN5O6/c1-22(2,26-18(31)20(33)28-8-10-34-11-9-28)21-25-15(16(29)19(32)27(21)3)17(30)24-12-13-4-6-14(23)7-5-13/h4-7,29H,8-12H2,1-3H3,(H,24,30)(H,26,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25342 (N-methyl-pyrimidinone derivative, 18) Show SMILES COc1cccc(CNC(=O)c2nc(n(C)c(=O)c2O)C(C)(C)NC(=O)C(=O)N(C)C)c1OC Show InChI InChI=1S/C22H29N5O7/c1-22(2,25-18(30)20(32)26(3)4)21-24-14(15(28)19(31)27(21)5)17(29)23-11-12-9-8-10-13(33-6)16(12)34-7/h8-10,28H,11H2,1-7H3,(H,23,29)(H,25,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479322 (CHEMBL514836) Show SMILES Oc1c(nc(C2CNC(=O)C2)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H17FN4O3/c21-13-5-3-11(4-6-13)9-24-20(28)18-19(27)17-14(2-1-7-22-17)16(25-18)12-8-15(26)23-10-12/h1-7,12,27H,8-10H2,(H,23,26)(H,24,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	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 using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM25340 (N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2...) Show SMILES CN1CCN(CC1)C(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C23H29FN6O5/c1-23(2,27-19(33)21(35)30-11-9-28(3)10-12-30)22-26-16(17(31)20(34)29(22)4)18(32)25-13-14-5-7-15(24)8-6-14/h5-8,31H,9-13H2,1-4H3,(H,25,32)(H,27,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479325 (CHEMBL514555) Show SMILES CCN1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c2ncccc12 Show InChI InChI=1S/C23H23FN4O5S/c1-3-28-12-14(9-18(28)29)19-16-5-4-8-25-20(16)22(30)21(27-19)23(31)26-11-13-6-7-15(24)10-17(13)34(2,32)33/h4-8,10,14,30H,3,9,11-12H2,1-2H3,(H,26,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	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 using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					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)	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 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 recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					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)	BDBM50479321 (CHEMBL478239) Show SMILES CN(C)C(=O)CN1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C24H24FN5O4/c1-29(2)19(32)13-30-12-15(10-18(30)31)20-17-4-3-9-26-21(17)23(33)22(28-20)24(34)27-11-14-5-7-16(25)8-6-14/h3-9,15,33H,10-13H2,1-2H3,(H,27,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	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 recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479326 (CHEMBL476565) Show SMILES CC(C)N1CC(CC1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C23H23FN4O3/c1-13(2)28-12-15(10-18(28)29)19-17-4-3-9-25-20(17)22(30)21(27-19)23(31)26-11-14-5-7-16(24)8-6-14/h3-9,13,15,30H,10-12H2,1-2H3,(H,26,31)	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 using immobilized DNA substrate				Bioorg Med Chem Lett 18: 5307-10 (2008) Article DOI: 10.1016/j.bmcl.2008.08.038 BindingDB Entry DOI: 10.7270/Q2TH8QG7
					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 (Human immunodeficiency virus 1)	BDBM50482918 (CHEMBL1270611) Show SMILES NCc1ccc(cc1)-c1ccc(Cc2cc(=O)n(O)c3ncccc23)cc1 Show InChI InChI=1S/C22H19N3O2/c23-14-16-5-9-18(10-6-16)17-7-3-15(4-8-17)12-19-13-21(26)25(27)22-20(19)2-1-11-24-22/h1-11,13,27H,12,14,23H2	PDB MMDB 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 and Co. Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase RNasH activity				Bioorg Med Chem Lett 20: 6754-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.135 BindingDB Entry DOI: 10.7270/Q21N8405
					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
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
Integrase (Human immunodeficiency virus 1)	BDBM50477417 (CHEMBL246774) Show SMILES CNC(=O)c1cc(F)ccc1CNC(=O)c1ncc2cccnc2c1O Show InChI InChI=1S/C18H15FN4O3/c1-20-17(25)13-7-12(19)5-4-10(13)8-23-18(26)15-16(24)14-11(9-22-15)3-2-6-21-14/h2-7,9,24H,8H2,1H3,(H,20,25)(H,23,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	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

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