Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50004255   

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)	BDBM50480787 (CHEMBL549592) Show SMILES CN1CCN(CC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)C(C)=O Show InChI InChI=1S/C21H26FN5O4/c1-13(28)27-10-9-25(3)21(2,12-27)20-24-16(17(29)19(31)26(20)4)18(30)23-11-14-5-7-15(22)8-6-14/h5-8,29H,9-12H2,1-4H3,(H,23,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM22638 (2-(4-acetyl-1-methylpiperazin-2-yl)-N-[(4-fluoroph...) Show SMILES CN1CCN(CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)C(C)=O Show InChI InChI=1S/C20H24FN5O4/c1-12(27)26-9-8-24(2)15(11-26)18-23-16(17(28)20(30)25(18)3)19(29)22-10-13-4-6-14(21)7-5-13/h4-7,15,28H,8-11H2,1-3H3,(H,22,29)	PDB UniProtKB/TrEMBL 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	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480771 (CHEMBL563757) Show SMILES CC(=O)N1CCCCC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 Show InChI InChI=1S/C20H23FN4O4/c1-12(26)25-10-4-3-9-20(25,2)19-23-15(16(27)18(29)24-19)17(28)22-11-13-5-7-14(21)8-6-13/h5-8,27H,3-4,9-11H2,1-2H3,(H,22,28)(H,23,24,29)	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
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480773 (CHEMBL564267) Show SMILES CN1CCN(CC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)S(C)(=O)=O Show InChI InChI=1S/C20H26FN5O5S/c1-20(12-26(32(4,30)31)10-9-24(20)2)19-23-15(16(27)18(29)25(19)3)17(28)22-11-13-5-7-14(21)8-6-13/h5-8,27H,9-12H2,1-4H3,(H,22,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480773 (CHEMBL564267) Show SMILES CN1CCN(CC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)S(C)(=O)=O Show InChI InChI=1S/C20H26FN5O5S/c1-20(12-26(32(4,30)31)10-9-24(20)2)19-23-15(16(27)18(29)25(19)3)17(28)22-11-13-5-7-14(21)8-6-13/h5-8,27H,9-12H2,1-4H3,(H,22,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480773 (CHEMBL564267) Show SMILES CN1CCN(CC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)S(C)(=O)=O Show InChI InChI=1S/C20H26FN5O5S/c1-20(12-26(32(4,30)31)10-9-24(20)2)19-23-15(16(27)18(29)25(19)3)17(28)22-11-13-5-7-14(21)8-6-13/h5-8,27H,9-12H2,1-4H3,(H,22,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480777 (CHEMBL563898) Show SMILES CC(=O)N1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 Show InChI InChI=1S/C19H21FN4O4/c1-11(25)24-9-3-2-4-14(24)17-22-15(16(26)19(28)23-17)18(27)21-10-12-5-7-13(20)8-6-12/h5-8,14,26H,2-4,9-10H2,1H3,(H,21,27)(H,22,23,28)	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-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480788 (CHEMBL550202) Show SMILES Cc1nc(C)c(s1)C(=O)N1CCCCC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 Show InChI InChI=1S/C24H26FN5O4S/c1-13-19(35-14(2)27-13)22(34)30-11-5-4-10-24(30,3)23-28-17(18(31)21(33)29-23)20(32)26-12-15-6-8-16(25)9-7-15/h6-9,31H,4-5,10-12H2,1-3H3,(H,26,32)(H,28,29,33)	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-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480770 (CHEMBL550674) Show SMILES CC(=O)N1CCC[C@@]1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 |r| Show InChI InChI=1S/C19H21FN4O4/c1-11(25)24-9-3-8-19(24,2)18-22-14(15(26)17(28)23-18)16(27)21-10-12-4-6-13(20)7-5-12/h4-7,26H,3,8-10H2,1-2H3,(H,21,27)(H,22,23,28)/t19-/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-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	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 UniProtKB/TrEMBL 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	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480782 (CHEMBL565220) Show SMILES CC1(CCCCN1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 Show InChI InChI=1S/C18H21FN4O3/c1-18(8-2-3-9-21-18)17-22-13(14(24)16(26)23-17)15(25)20-10-11-4-6-12(19)7-5-11/h4-7,21,24H,2-3,8-10H2,1H3,(H,20,25)(H,22,23,26)	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-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480781 (CHEMBL562595) Show SMILES CN(C)S(=O)(=O)N1CCN(C)C(C)(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C21H29FN6O5S/c1-21(13-28(11-10-26(21)4)34(32,33)25(2)3)20-24-16(17(29)19(31)27(20)5)18(30)23-12-14-6-8-15(22)9-7-14/h6-9,29H,10-13H2,1-5H3,(H,23,30)	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-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480778 (CHEMBL560944) Show SMILES CN1CCN(C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1)C(C)=O Show InChI InChI=1S/C19H22FN5O4/c1-11(26)25-8-7-24(2)10-14(25)17-22-15(16(27)19(29)23-17)18(28)21-9-12-3-5-13(20)6-4-12/h3-6,14,27H,7-10H2,1-2H3,(H,21,28)(H,22,23,29)	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
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480775 (CHEMBL563628) Show SMILES CC(=O)N1CCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 Show InChI InChI=1S/C18H19FN4O4/c1-10(24)23-8-2-3-13(23)16-21-14(15(25)18(27)22-16)17(26)20-9-11-4-6-12(19)7-5-11/h4-7,13,25H,2-3,8-9H2,1H3,(H,20,26)(H,21,22,27)	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
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480784 (CHEMBL559493) Show SMILES Cc1nc(C)c(s1)C(=O)N1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 Show InChI InChI=1S/C23H24FN5O4S/c1-12-19(34-13(2)26-12)23(33)29-10-4-3-5-16(29)20-27-17(18(30)22(32)28-20)21(31)25-11-14-6-8-15(24)9-7-14/h6-9,16,30H,3-5,10-11H2,1-2H3,(H,25,31)(H,27,28,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480779 (CHEMBL559494) Show SMILES CN1CCN(C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1)C(=O)c1cnccn1 Show InChI InChI=1S/C22H22FN7O4/c1-29-8-9-30(22(34)15-11-24-6-7-25-15)16(12-29)19-27-17(18(31)21(33)28-19)20(32)26-10-13-2-4-14(23)5-3-13/h2-7,11,16,31H,8-10,12H2,1H3,(H,26,32)(H,27,28,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480783 (CHEMBL226764) Show SMILES CN1CCCC1c1nc(O)c(O)c(n1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C17H19FN4O3/c1-22-8-2-3-12(22)15-20-13(14(23)17(25)21-15)16(24)19-9-10-4-6-11(18)7-5-10/h4-7,12,23H,2-3,8-9H2,1H3,(H,19,24)(H,20,21,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480785 (CHEMBL554522) Show SMILES C[C@]1(CCCN1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 |r| Show InChI InChI=1S/C17H19FN4O3/c1-17(7-2-8-20-17)16-21-12(13(23)15(25)22-16)14(24)19-9-10-3-5-11(18)6-4-10/h3-6,20,23H,2,7-9H2,1H3,(H,19,24)(H,21,22,25)/t17-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480769 (CHEMBL549798) Show SMILES CN1CCC[C@@]1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 |r| Show InChI InChI=1S/C18H21FN4O3/c1-18(8-3-9-23(18)2)17-21-13(14(24)16(26)22-17)15(25)20-10-11-4-6-12(19)7-5-11/h4-7,24H,3,8-10H2,1-2H3,(H,20,25)(H,21,22,26)/t18-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480789 (CHEMBL551942) Show SMILES CN1CCN(C(=O)c2cnccn2)C(C)(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 Show InChI InChI=1S/C23H24FN7O4/c1-23(13-30(2)9-10-31(23)21(35)16-12-25-7-8-26-16)22-28-17(18(32)20(34)29-22)19(33)27-11-14-3-5-15(24)6-4-14/h3-8,12,32H,9-11,13H2,1-2H3,(H,27,33)(H,28,29,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480786 (CHEMBL559492) Show SMILES CN1CCN(C(C)=O)C(C)(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 Show InChI InChI=1S/C20H24FN5O4/c1-12(27)26-9-8-25(3)11-20(26,2)19-23-15(16(28)18(30)24-19)17(29)22-10-13-4-6-14(21)7-5-13/h4-7,28H,8-11H2,1-3H3,(H,22,29)(H,23,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480774 (CHEMBL564984) Show SMILES Oc1c(nc([nH]c1=O)C1CCCN1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C16H17FN4O3/c17-10-5-3-9(4-6-10)8-19-15(23)12-13(22)16(24)21-14(20-12)11-2-1-7-18-11/h3-6,11,18,22H,1-2,7-8H2,(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	120	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480790 (CHEMBL227497) Show SMILES Oc1nc(nc(C(=O)NCc2ccc(F)cc2)c1O)C1CCCCN1 Show InChI InChI=1S/C17H19FN4O3/c18-11-6-4-10(5-7-11)9-20-16(24)13-14(23)17(25)22-15(21-13)12-3-1-2-8-19-12/h4-7,12,19,23H,1-3,8-9H2,(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	130	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480776 (CHEMBL407451) Show SMILES CN1CCCCC1c1nc(O)c(O)c(n1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C18H21FN4O3/c1-23-9-3-2-4-13(23)16-21-14(15(24)18(26)22-16)17(25)20-10-11-5-7-12(19)8-6-11/h5-8,13,24H,2-4,9-10H2,1H3,(H,20,25)(H,21,22,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480780 (CHEMBL549309) Show SMILES CN1CCCCC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 Show InChI InChI=1S/C19H23FN4O3/c1-19(9-3-4-10-24(19)2)18-22-14(15(25)17(27)23-18)16(26)21-11-12-5-7-13(20)8-6-12/h5-8,25H,3-4,9-11H2,1-2H3,(H,21,26)(H,22,23,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM22611 (JMC496646 Compound 16 | N-Me-pyrimidone deriv., 11...) Show SMILES CN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C19H23FN4O3/c1-23-10-4-3-5-14(23)17-22-15(16(25)19(27)24(17)2)18(26)21-11-12-6-8-13(20)9-7-12/h6-9,14,25H,3-5,10-11H2,1-2H3,(H,21,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50480772 (CHEMBL562482) Show SMILES CN1CCCCC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H25FN4O3/c1-20(10-4-5-11-24(20)2)19-23-15(16(26)18(28)25(19)3)17(27)22-12-13-6-8-14(21)9-7-13/h6-9,26H,4-5,10-12H2,1-3H3,(H,22,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 19: 4617-21 (2009) Article DOI: 10.1016/j.bmcl.2009.06.091 BindingDB Entry DOI: 10.7270/Q24F1TJT
					More data for this Ligand-Target Pair