Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50045102   

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)	BDBM50045083 (CHEMBL3310085) Show SMILES CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC2CC2)c1=O Show InChI InChI=1S/C23H23FN4O4/c1-27(2)18(29)12-28-17-10-14(9-13-3-5-15(24)6-4-13)11-25-20(17)21(30)19(23(28)32)22(31)26-16-7-8-16/h3-6,10-11,16,30H,7-9,12H2,1-2H3,(H,26,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045085 (CHEMBL3310087) Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O Show InChI InChI=1S/C23H25FN4O5/c1-27(2)18(29)13-28-17-11-15(10-14-4-6-16(24)7-5-14)12-26-20(17)21(30)19(23(28)32)22(31)25-8-9-33-3/h4-7,11-12,30H,8-10,13H2,1-3H3,(H,25,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045076 (CHEMBL3310093) Show SMILES C[C@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O |r| Show InChI InChI=1S/C23H25FN4O5/c1-13(29)10-26-22(32)19-21(31)20-17(28(23(19)33)12-18(30)27(2)3)9-15(11-25-20)8-14-4-6-16(24)7-5-14/h4-7,9,11,13,29,31H,8,10,12H2,1-3H3,(H,26,32)/t13-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045102 (CHEMBL3310078) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC2CC2)c1=O Show InChI InChI=1S/C22H21FN4O4/c1-24-21(30)18-20(29)19-16(27(22(18)31)11-17(28)26-15-6-7-15)9-13(10-25-19)8-12-2-4-14(23)5-3-12/h2-5,9-10,15,29H,6-8,11H2,1H3,(H,24,30)(H,26,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045098 (CHEMBL3309906) Show SMILES CCN(CC)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC)c1=O Show InChI InChI=1S/C23H25FN4O4/c1-4-27(5-2)18(29)13-28-17-11-15(10-14-6-8-16(24)9-7-14)12-26-20(17)21(30)19(23(28)32)22(31)25-3/h6-9,11-12,30H,4-5,10,13H2,1-3H3,(H,25,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045067 (CHEMBL3310413) Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCCC2)c1=O Show InChI InChI=1S/C26H29FN4O5/c1-36-12-9-28-25(34)22-24(33)23-20(14-18(15-29-23)13-17-5-7-19(27)8-6-17)31(26(22)35)16-21(32)30-10-3-2-4-11-30/h5-8,14-15,33H,2-4,9-13,16H2,1H3,(H,28,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045082 (CHEMBL3310084) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NOC)c1=O Show InChI InChI=1S/C20H19FN4O5/c1-22-19(28)16-18(27)17-14(25(20(16)29)10-15(26)24-30-2)8-12(9-23-17)7-11-3-5-13(21)6-4-11/h3-6,8-9,27H,7,10H2,1-2H3,(H,22,28)(H,24,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045084 (CHEMBL3310086) Show SMILES CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCO)c1=O Show InChI InChI=1S/C22H23FN4O5/c1-26(2)17(29)12-27-16-10-14(9-13-3-5-15(23)6-4-13)11-25-19(16)20(30)18(22(27)32)21(31)24-7-8-28/h3-6,10-11,28,30H,7-9,12H2,1-2H3,(H,24,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045071 (CHEMBL3310409) Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC(C)C)c1=O Show InChI InChI=1S/C24H27FN4O5/c1-14(2)28-19(30)13-29-18-11-16(10-15-4-6-17(25)7-5-15)12-27-21(18)22(31)20(24(29)33)23(32)26-8-9-34-3/h4-7,11-12,14,31H,8-10,13H2,1-3H3,(H,26,32)(H,28,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045088 (CHEMBL3310090) Show SMILES CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC(C)(C)CO)c1=O Show InChI InChI=1S/C24H27FN4O5/c1-24(2,13-30)27-22(33)19-21(32)20-17(29(23(19)34)12-18(31)28(3)4)10-15(11-26-20)9-14-5-7-16(25)8-6-14/h5-8,10-11,30,32H,9,12-13H2,1-4H3,(H,27,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045080 (CHEMBL3310082) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCCOC)c1=O Show InChI InChI=1S/C22H23FN4O5/c1-24-21(30)18-20(29)19-16(27(22(18)31)12-17(28)25-7-8-32-2)10-14(11-26-19)9-13-3-5-15(23)6-4-13/h3-6,10-11,29H,7-9,12H2,1-2H3,(H,24,30)(H,25,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045097 (CHEMBL3310079) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC(C)(C)C)c1=O Show InChI InChI=1S/C23H25FN4O4/c1-23(2,3)27-17(29)12-28-16-10-14(9-13-5-7-15(24)8-6-13)11-26-19(16)20(30)18(22(28)32)21(31)25-4/h5-8,10-11,30H,9,12H2,1-4H3,(H,25,31)(H,27,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045090 (CHEMBL3310081) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC(F)(F)F)c1=O Show InChI InChI=1S/C21H18F4N4O4/c1-26-19(32)16-18(31)17-14(29(20(16)33)9-15(30)28-10-21(23,24)25)7-12(8-27-17)6-11-2-4-13(22)5-3-11/h2-5,7-8,31H,6,9-10H2,1H3,(H,26,32)(H,28,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045087 (CHEMBL3310089) Show SMILES C[C@@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O |r| Show InChI InChI=1S/C23H25FN4O5/c1-13(12-29)26-22(32)19-21(31)20-17(28(23(19)33)11-18(30)27(2)3)9-15(10-25-20)8-14-4-6-16(24)7-5-14/h4-7,9-10,13,29,31H,8,11-12H2,1-3H3,(H,26,32)/t13-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045073 (CHEMBL3310097) Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC2CC2)c1=O Show InChI InChI=1S/C24H25FN4O5/c1-34-9-8-26-23(32)20-22(31)21-18(29(24(20)33)13-19(30)28-17-6-7-17)11-15(12-27-21)10-14-2-4-16(25)5-3-14/h2-5,11-12,17,31H,6-10,13H2,1H3,(H,26,32)(H,28,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045066 (CHEMBL3310414) Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCOCC2)c1=O Show InChI InChI=1S/C25H27FN4O6/c1-35-9-6-27-24(33)21-23(32)22-19(13-17(14-28-22)12-16-2-4-18(26)5-3-16)30(25(21)34)15-20(31)29-7-10-36-11-8-29/h2-5,13-14,32H,6-12,15H2,1H3,(H,27,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045106 (CHEMBL3309903) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(N)=O)c1=O Show InChI InChI=1S/C19H17FN4O4/c1-22-18(27)15-17(26)16-13(24(19(15)28)9-14(21)25)7-11(8-23-16)6-10-2-4-12(20)5-3-10/h2-5,7-8,26H,6,9H2,1H3,(H2,21,25)(H,22,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045078 (CHEMBL3310095) Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(N)=O)c1=O Show InChI InChI=1S/C21H21FN4O5/c1-31-7-6-24-20(29)17-19(28)18-15(26(21(17)30)11-16(23)27)9-13(10-25-18)8-12-2-4-14(22)5-3-12/h2-5,9-10,28H,6-8,11H2,1H3,(H2,23,27)(H,24,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045101 (CHEMBL3310077) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC(C)C)c1=O Show InChI InChI=1S/C22H23FN4O4/c1-12(2)26-17(28)11-27-16-9-14(8-13-4-6-15(23)7-5-13)10-25-19(16)20(29)18(22(27)31)21(30)24-3/h4-7,9-10,12,29H,8,11H2,1-3H3,(H,24,30)(H,26,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045089 (CHEMBL3310080) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC2CC2)c1=O Show InChI InChI=1S/C23H23FN4O4/c1-25-22(31)19-21(30)20-17(28(23(19)32)12-18(29)26-10-14-2-3-14)9-15(11-27-20)8-13-4-6-16(24)7-5-13/h4-7,9,11,14,30H,2-3,8,10,12H2,1H3,(H,25,31)(H,26,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045107 (CHEMBL1256978 | GSK364735) Show SMILES Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCO)c1=O Show InChI InChI=1S/C19H18FN3O4/c1-23-14-9-12(8-11-2-4-13(20)5-3-11)10-22-16(14)17(25)15(19(23)27)18(26)21-6-7-24/h2-5,9-10,24-25H,6-8H2,1H3,(H,21,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045104 (CHEMBL3309268) Show SMILES CCNC(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC)c1=O Show InChI InChI=1S/C21H21FN4O4/c1-3-24-16(27)11-26-15-9-13(8-12-4-6-14(22)7-5-12)10-25-18(15)19(28)17(21(26)30)20(29)23-2/h4-7,9-10,28H,3,8,11H2,1-2H3,(H,23,29)(H,24,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045072 (CHEMBL3310098) Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC2CCC2)c1=O Show InChI InChI=1S/C25H27FN4O5/c1-35-10-9-27-24(33)21-23(32)22-19(30(25(21)34)14-20(31)29-18-3-2-4-18)12-16(13-28-22)11-15-5-7-17(26)8-6-15/h5-8,12-13,18,32H,2-4,9-11,14H2,1H3,(H,27,33)(H,29,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045086 (CHEMBL3310088) Show SMILES C[C@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O |r| Show InChI InChI=1S/C23H25FN4O5/c1-13(12-29)26-22(32)19-21(31)20-17(28(23(19)33)11-18(30)27(2)3)9-15(10-25-20)8-14-4-6-16(24)7-5-14/h4-7,9-10,13,29,31H,8,11-12H2,1-3H3,(H,26,32)/t13-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045077 (CHEMBL3310094) Show SMILES CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCN2CCOCC2)c1=O Show InChI InChI=1S/C26H30FN5O5/c1-30(2)21(33)16-32-20-14-18(13-17-3-5-19(27)6-4-17)15-29-23(20)24(34)22(26(32)36)25(35)28-7-8-31-9-11-37-12-10-31/h3-6,14-15,34H,7-13,16H2,1-2H3,(H,28,35)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045079 (CHEMBL3310096) Show SMILES CNC(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCOC)c1=O Show InChI InChI=1S/C22H23FN4O5/c1-24-17(28)12-27-16-10-14(9-13-3-5-15(23)6-4-13)11-26-19(16)20(29)18(22(27)31)21(30)25-7-8-32-2/h3-6,10-11,29H,7-9,12H2,1-2H3,(H,24,28)(H,25,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045100 (CHEMBL3310076) Show SMILES CCCNC(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC)c1=O Show InChI InChI=1S/C22H23FN4O4/c1-3-8-25-17(28)12-27-16-10-14(9-13-4-6-15(23)7-5-13)11-26-19(16)20(29)18(22(27)31)21(30)24-2/h4-7,10-11,29H,3,8-9,12H2,1-2H3,(H,24,30)(H,25,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045075 (CHEMBL3310092) Show SMILES C[C@@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O |r| Show InChI InChI=1S/C23H25FN4O5/c1-13(29)10-26-22(32)19-21(31)20-17(28(23(19)33)12-18(30)27(2)3)9-15(11-25-20)8-14-4-6-16(24)7-5-14/h4-7,9,11,13,29,31H,8,10,12H2,1-3H3,(H,26,32)/t13-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045103 (CHEMBL3309905) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O Show InChI InChI=1S/C21H21FN4O4/c1-23-20(29)17-19(28)18-15(26(21(17)30)11-16(27)25(2)3)9-13(10-24-18)8-12-4-6-14(22)7-5-12/h4-7,9-10,28H,8,11H2,1-3H3,(H,23,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045105 (CHEMBL3309904) Show SMILES CNC(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC)c1=O Show InChI InChI=1S/C20H19FN4O4/c1-22-15(26)10-25-14-8-12(7-11-3-5-13(21)6-4-11)9-24-17(14)18(27)16(20(25)29)19(28)23-2/h3-6,8-9,27H,7,10H2,1-2H3,(H,22,26)(H,23,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045070 (CHEMBL3310410) Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC(F)(F)F)c1=O Show InChI InChI=1S/C23H22F4N4O5/c1-36-7-6-28-21(34)18-20(33)19-16(31(22(18)35)11-17(32)30-12-23(25,26)27)9-14(10-29-19)8-13-2-4-15(24)5-3-13/h2-5,9-10,33H,6-8,11-12H2,1H3,(H,28,34)(H,30,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045099 (CHEMBL3309907) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O Show InChI InChI=1S/C23H23FN4O4/c1-25-22(31)19-21(30)20-17(28(23(19)32)13-18(29)27-8-2-3-9-27)11-15(12-26-20)10-14-4-6-16(24)7-5-14/h4-7,11-12,30H,2-3,8-10,13H2,1H3,(H,25,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045081 (CHEMBL3310083) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCCN(C)C)c1=O Show InChI InChI=1S/C23H26FN5O4/c1-25-22(32)19-21(31)20-17(29(23(19)33)13-18(30)26-8-9-28(2)3)11-15(12-27-20)10-14-4-6-16(24)7-5-14/h4-7,11-12,31H,8-10,13H2,1-3H3,(H,25,32)(H,26,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045074 (CHEMBL3310091) Show SMILES CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC2(CO)CCCC2)c1=O Show InChI InChI=1S/C26H29FN4O5/c1-30(2)20(33)14-31-19-12-17(11-16-5-7-18(27)8-6-16)13-28-22(19)23(34)21(25(31)36)24(35)29-26(15-32)9-3-4-10-26/h5-8,12-13,32,34H,3-4,9-11,14-15H2,1-2H3,(H,29,35)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045065 (CHEMBL3310415) Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCN(C)CC2)c1=O Show InChI InChI=1S/C26H30FN5O5/c1-30-8-10-31(11-9-30)21(33)16-32-20-14-18(13-17-3-5-19(27)6-4-17)15-29-23(20)24(34)22(26(32)36)25(35)28-7-12-37-2/h3-6,14-15,34H,7-13,16H2,1-2H3,(H,28,35)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045068 (CHEMBL3310412) Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCC2)c1=O Show InChI InChI=1S/C25H27FN4O5/c1-35-11-8-27-24(33)21-23(32)22-19(30(25(21)34)15-20(31)29-9-2-3-10-29)13-17(14-28-22)12-16-4-6-18(26)7-5-16/h4-7,13-14,32H,2-3,8-12,15H2,1H3,(H,27,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50045069 (CHEMBL3310411) Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCCN(C)C)c1=O Show InChI InChI=1S/C25H30FN5O5/c1-30(2)10-8-27-20(32)15-31-19-13-17(12-16-4-6-18(26)7-5-16)14-29-22(19)23(33)21(25(31)35)24(34)28-9-11-36-3/h4-7,13-14,33H,8-12,15H2,1-3H3,(H,27,32)(H,28,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant HIV-1 integrase by strand-transfer assay				Bioorg Med Chem Lett 24: 3104-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.011 BindingDB Entry DOI: 10.7270/Q2BC415P
					More data for this Ligand-Target Pair