Compile Data Set for Download or QSAR

Found 1006 hits with Last Name = 'still' and Initial = 'k'   

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...)	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...)	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...)	BDBM22641 (2-{4-[2-(dimethylamino)acetyl]-1-methylpiperazin-2...) Show SMILES CN(C)CC(=O)N1CCN(C)C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C22H29FN6O4/c1-26(2)13-17(30)29-10-9-27(3)16(12-29)20-25-18(19(31)22(33)28(20)4)21(32)24-11-14-5-7-15(23)8-6-14/h5-8,16,31H,9-13H2,1-4H3,(H,24,32)	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	n/a	n/a
IRBM-MRL					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 50: 4953-75 (2007) Article DOI: 10.1021/jm0704705 BindingDB Entry DOI: 10.7270/Q2BZ64BS
					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
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...)	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...)	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
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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22644 (2-[4-(benzenesulfonyl)-1-methylpiperazin-2-yl]-N-[...) Show SMILES CN1CCN(CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H26FN5O5S/c1-28-12-13-30(36(34,35)18-6-4-3-5-7-18)15-19(28)22-27-20(21(31)24(33)29(22)2)23(32)26-14-16-8-10-17(25)11-9-16/h3-11,19,31H,12-15H2,1-2H3,(H,26,32)	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	n/a	n/a
IRBM-MRL					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 50: 4953-75 (2007) Article DOI: 10.1021/jm0704705 BindingDB Entry DOI: 10.7270/Q2BZ64BS
					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
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...)	BDBM22645 (2-[4-(dimethylsulfamoyl)-1-methylpiperazin-2-yl]-N...) Show SMILES CN(C)S(=O)(=O)N1CCN(C)C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H27FN6O5S/c1-24(2)33(31,32)27-10-9-25(3)15(12-27)18-23-16(17(28)20(30)26(18)4)19(29)22-11-13-5-7-14(21)8-6-13/h5-8,15,28H,9-12H2,1-4H3,(H,22,29)	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	n/a	n/a
IRBM-MRL					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 50: 4953-75 (2007) Article DOI: 10.1021/jm0704705 BindingDB Entry DOI: 10.7270/Q2BZ64BS
					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)	BDBM50476514 (CHEMBL232446) Show SMILES Oc1nc(nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1O)-c1cccs1 Show InChI InChI=1S/C16H11Cl2N3O3S/c17-9-4-3-8(6-10(9)18)7-19-15(23)12-13(22)16(24)21-14(20-12)11-2-1-5-25-11/h1-6,22H,7H2,(H,19,23)(H,20,21,24)	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
IRBM-MRL Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 350-3 (2007) Article DOI: 10.1016/j.bmcl.2006.10.054 BindingDB Entry DOI: 10.7270/Q2FN18ZF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476515 (CHEMBL232226) Show SMILES Oc1nc(nc(C(=O)Nc2cc3ccccc3s2)c1O)-c1cccs1 Show InChI InChI=1S/C17H11N3O3S2/c21-14-13(19-15(20-17(14)23)11-6-3-7-24-11)16(22)18-12-8-9-4-1-2-5-10(9)25-12/h1-8,21H,(H,18,22)(H,19,20,23)	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
IRBM-MRL Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 350-3 (2007) Article DOI: 10.1016/j.bmcl.2006.10.054 BindingDB Entry DOI: 10.7270/Q2FN18ZF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50121880 (CHEMBL216874) Show SMILES Oc1nc(nc(C(=O)NCc2ccc(F)cc2)c1O)-c1cccs1 Show InChI InChI=1S/C16H12FN3O3S/c17-10-5-3-9(4-6-10)8-18-15(22)12-13(21)16(23)20-14(19-12)11-2-1-7-24-11/h1-7,21H,8H2,(H,18,22)(H,19,20,23)	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
IRBM-MRL Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 350-3 (2007) Article DOI: 10.1016/j.bmcl.2006.10.054 BindingDB Entry DOI: 10.7270/Q2FN18ZF
					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)	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
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)	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)	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)	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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22614 (2-[(2S,4S)-1,4-dimethylpyrrolidin-2-yl]-N-[(4-fluo...) Show SMILES C[C@H]1C[C@H](N(C)C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |r| Show InChI InChI=1S/C19H23FN4O3/c1-11-8-14(23(2)10-11)17-22-15(16(25)19(27)24(17)3)18(26)21-9-12-4-6-13(20)7-5-12/h4-7,11,14,25H,8-10H2,1-3H3,(H,21,26)/t11-,14-/m0/s1	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
IRBM-MRL					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 50: 4953-75 (2007) Article DOI: 10.1021/jm0704705 BindingDB Entry DOI: 10.7270/Q2BZ64BS
					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)	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...)	BDBM22643 (N-Me-pyrimidone deriv., 42 | N-[(4-fluorophenyl)me...) Show SMILES CN1CCN(CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)S(C)(=O)=O Show InChI InChI=1S/C19H24FN5O5S/c1-23-8-9-25(31(3,29)30)11-14(23)17-22-15(16(26)19(28)24(17)2)18(27)21-10-12-4-6-13(20)7-5-12/h4-7,14,26H,8-11H2,1-3H3,(H,21,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL					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 50: 4953-75 (2007) Article DOI: 10.1021/jm0704705 BindingDB Entry DOI: 10.7270/Q2BZ64BS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22640 (2-(4-benzoyl-1-methylpiperazin-2-yl)-N-[(4-fluorop...) Show SMILES CN1CCN(CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)C(=O)c1ccccc1 Show InChI InChI=1S/C25H26FN5O4/c1-29-12-13-31(24(34)17-6-4-3-5-7-17)15-19(29)22-28-20(21(32)25(35)30(22)2)23(33)27-14-16-8-10-18(26)11-9-16/h3-11,19,32H,12-15H2,1-2H3,(H,27,33)	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	n/a	n/a
IRBM-MRL					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 50: 4953-75 (2007) Article DOI: 10.1021/jm0704705 BindingDB Entry DOI: 10.7270/Q2BZ64BS
					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)	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)	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
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...)	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
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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM22649 (2-(4-acetylmorpholin-3-yl)-N-[(4-fluorophenyl)meth...) Show SMILES CC(=O)N1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C19H21FN4O5/c1-11(25)24-7-8-29-10-14(24)17-22-15(16(26)19(28)23(17)2)18(27)21-9-12-3-5-13(20)6-4-12/h3-6,14,26H,7-10H2,1-2H3,(H,21,27)	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	n/a	n/a
IRBM-MRL					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 50: 4953-75 (2007) Article DOI: 10.1021/jm0704705 BindingDB Entry DOI: 10.7270/Q2BZ64BS
					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...)	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...)	BDBM22657 (N-Me-pyrimidone deriv., 56 | N-[(3-bromophenyl)met...) Show SMILES CN1CCOCC1c1nc(C(=O)NCc2cccc(Br)c2)c(O)c(=O)n1C Show InChI InChI=1S/C18H21BrN4O4/c1-22-6-7-27-10-13(22)16-21-14(15(24)18(26)23(16)2)17(25)20-9-11-4-3-5-12(19)8-11/h3-5,8,13,24H,6-7,9-10H2,1-2H3,(H,20,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
IRBM-MRL					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 50: 4953-75 (2007) Article DOI: 10.1021/jm0704705 BindingDB Entry DOI: 10.7270/Q2BZ64BS
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476511 (CHEMBL232444) Show SMILES Oc1nc(nc(C(=O)NCc2ccc(Cl)cc2)c1O)-c1cccs1 Show InChI InChI=1S/C16H12ClN3O3S/c17-10-5-3-9(4-6-10)8-18-15(22)12-13(21)16(23)20-14(19-12)11-2-1-7-24-11/h1-7,21H,8H2,(H,18,22)(H,19,20,23)	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
IRBM-MRL Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 350-3 (2007) Article DOI: 10.1016/j.bmcl.2006.10.054 BindingDB Entry DOI: 10.7270/Q2FN18ZF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476517 (CHEMBL226916) Show SMILES Oc1nc(nc(C(=O)NCCc2ccccc2)c1O)-c1cccs1 Show InChI InChI=1S/C17H15N3O3S/c21-14-13(16(22)18-9-8-11-5-2-1-3-6-11)19-15(20-17(14)23)12-7-4-10-24-12/h1-7,10,21H,8-9H2,(H,18,22)(H,19,20,23)	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
IRBM-MRL Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 350-3 (2007) Article DOI: 10.1016/j.bmcl.2006.10.054 BindingDB Entry DOI: 10.7270/Q2FN18ZF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476522 (CHEMBL390433) Show SMILES Oc1nc(nc(C(=O)N[C@H]2CCc3ccccc23)c1O)-c1cccs1 |r| Show InChI InChI=1S/C18H15N3O3S/c22-15-14(20-16(21-18(15)24)13-6-3-9-25-13)17(23)19-12-8-7-10-4-1-2-5-11(10)12/h1-6,9,12,22H,7-8H2,(H,19,23)(H,20,21,24)/t12-/m0/s1	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
IRBM-MRL Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 350-3 (2007) Article DOI: 10.1016/j.bmcl.2006.10.054 BindingDB Entry DOI: 10.7270/Q2FN18ZF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476536 (CHEMBL232228) Show SMILES Oc1nc(nc(C(=O)NCc2c[nH]c3ccccc23)c1O)-c1cccs1 Show InChI InChI=1S/C18H14N4O3S/c23-15-14(21-16(22-18(15)25)13-6-3-7-26-13)17(24)20-9-10-8-19-12-5-2-1-4-11(10)12/h1-8,19,23H,9H2,(H,20,24)(H,21,22,25)	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
IRBM-MRL Rome Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 17: 350-3 (2007) Article DOI: 10.1016/j.bmcl.2006.10.054 BindingDB Entry DOI: 10.7270/Q2FN18ZF
					More data for this Ligand-Target Pair

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