Compile Data Set for Download or QSAR

Found 189 hits with Last Name = 'fujiwara' and Initial = 't'   

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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50017721 (1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16| Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University (TMDU) Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from Sprague-Dawley rat cerebral cortex 5-HT2A receptor after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 24: 4318-4323 (2016) Article DOI: 10.1016/j.bmc.2016.07.024 BindingDB Entry DOI: 10.7270/Q2959KGV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50097224 (1-Methyl-4-thioxanthen-9-ylidene-piperidine | 1-me...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccccc2-[#16]-c2ccccc-12 Show InChI InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University (TMDU) Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from Sprague-Dawley rat cerebral cortex 5-HT2A receptor after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 24: 4318-4323 (2016) Article DOI: 10.1016/j.bmc.2016.07.024 BindingDB Entry DOI: 10.7270/Q2959KGV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50097222 (4-(10,11-Dihydro-dibenzo[a,d]cyclohepten-5-ylidene...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C21H23N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University (TMDU) Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from Sprague-Dawley rat cerebral cortex 5-HT2A receptor after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 24: 4318-4323 (2016) Article DOI: 10.1016/j.bmc.2016.07.024 BindingDB Entry DOI: 10.7270/Q2959KGV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50097215 (4-Fluoren-9-ylidene-1-methyl-piperidine | CHEMBL34...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-c2ccccc-12 Show InChI InChI=1S/C19H19N/c1-20-12-10-14(11-13-20)19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9H,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	199	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University (TMDU) Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from Sprague-Dawley rat cerebral cortex 5-HT2A receptor after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 24: 4318-4323 (2016) Article DOI: 10.1016/j.bmc.2016.07.024 BindingDB Entry DOI: 10.7270/Q2959KGV
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7 (Homo sapiens (Human))	BDBM50017721 (1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16| Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Curated by ChEMBL					Assay Description Inhibition of recombinant Set7/9 (unknown origin) expressed in Escherichia coli BL21 (DE3) using Ac-KRSK-MCA peptide/SAM as substrate preincubated fo...				J Med Chem 59: 3650-60 (2016) Article DOI: 10.1021/acs.jmedchem.5b01732 BindingDB Entry DOI: 10.7270/Q2X068Z4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50484379 (CHEMBL1917873) Show SMILES CC(C)n1c2cccnc2c(O)c(C(=O)NCc2ccc(F)cc2)c1=O Show InChI InChI=1S/C19H18FN3O3/c1-11(2)23-14-4-3-9-21-16(14)17(24)15(19(23)26)18(25)22-10-12-5-7-13(20)8-6-12/h3-9,11,24H,10H2,1-2H3,(H,22,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer by biochemical assay				Bioorg Med Chem Lett 21: 6461-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.082 BindingDB Entry DOI: 10.7270/Q22Z18CH
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489299 (CHEMBL2316125) Show SMILES C[C@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O |r| Show InChI InChI=1S/C20H20FN3O4/c1-11(25)9-23-19(27)16-18(26)17-15(24(2)20(16)28)8-13(10-22-17)7-12-3-5-14(21)6-4-12/h3-6,8,10-11,25-26H,7,9H2,1-2H3,(H,23,27)/t11-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50483553 (CHEBI:76007 | Dolutegravir Sodium | GSK1349572 | G...) Show SMILES [Na;v0+].[H][C@]12[#6]-n3cc(-[#6](=O)-[#7]-[#6]-c4ccc(F)cc4F)c(=O)c(-[#8-])c3-[#6](=O)-[#7]1-[#6@H](-[#6])-[#6]-[#6]-[#8]2 |r| Show InChI InChI=1S/C20H19F2N3O5.Na/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22;/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28);/q;+1/p-1/t10-,15+;/m1./s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintil...				Antimicrob Agents Chemother 55: 813-21 (2011) Article DOI: 10.1128/AAC.01209-10 BindingDB Entry DOI: 10.7270/Q2RX9FXN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572) Show SMILES [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r| Show InChI InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured afte...				J Med Chem 56: 5901-16 (2013) Article DOI: 10.1021/jm400645w BindingDB Entry DOI: 10.7270/Q21G0Q64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50489263 (CHEMBL2316126) Show SMILES C[C@@H](CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O |r| Show InChI InChI=1S/C21H22FN3O4/c1-12(11-26)9-24-20(28)17-19(27)18-16(25(2)21(17)29)8-14(10-23-18)7-13-3-5-15(22)6-4-13/h3-6,8,10,12,26-27H,7,9,11H2,1-2H3,(H,24,28)/t12-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	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 HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50492496 (Cabotegravir | GSK-1265744A | GSK1265744 | GSK1265...) Show SMILES [H][C@@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@@H](C)CO2 |r| Show InChI InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	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 HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured afte...				J Med Chem 56: 5901-16 (2013) Article DOI: 10.1021/jm400645w BindingDB Entry DOI: 10.7270/Q21G0Q64
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489287 (CHEMBL2316116) Show SMILES CC(C)(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O Show InChI InChI=1S/C20H20FN3O4/c1-20(2,10-25)24-19(28)15-17(26)16-14(23-18(15)27)8-12(9-22-16)7-11-3-5-13(21)6-4-11/h3-6,8-9,25H,7,10H2,1-2H3,(H,24,28)(H2,23,26,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	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 HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489280 (CHEMBL2311585) Show SMILES C[C@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O |r| Show InChI InChI=1S/C19H18FN3O4/c1-10(24)8-22-18(26)15-17(25)16-14(23-19(15)27)7-12(9-21-16)6-11-2-4-13(20)5-3-11/h2-5,7,9-10,24H,6,8H2,1H3,(H,22,26)(H2,23,25,27)/t10-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	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 HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
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)	BDBM50480673 (Isentress | Isentress hd | MK-0518 | MK-0518 POTAS...) Show SMILES [K;v0+].[#6]-c1nnc(o1)-[#6](=O)-[#7]C([#6])([#6])c1nc(-[#6](=O)-[#7]-[#6]-c2ccc(F)cc2)c(-[#8-])c(=O)n1-[#6] 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)/p-1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintil...				Antimicrob Agents Chemother 55: 813-21 (2011) Article DOI: 10.1128/AAC.01209-10 BindingDB Entry DOI: 10.7270/Q2RX9FXN
					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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase by strand transfer scintillation proximity assay				Antimicrob Agents Chemother 52: 901-8 (2008) Article DOI: 10.1128/aac.01218-07 BindingDB Entry DOI: 10.7270/Q2JQ13VN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489295 (CHEMBL2316136) Show SMILES Oc1c(C(=O)NCCCN2CCCC2=O)c(=O)[nH]c2cc(Cc3ccc(F)cc3)cnc12 Show InChI InChI=1S/C23H23FN4O4/c24-16-6-4-14(5-7-16)11-15-12-17-20(26-13-15)21(30)19(23(32)27-17)22(31)25-8-2-10-28-9-1-3-18(28)29/h4-7,12-13H,1-3,8-11H2,(H,25,31)(H2,27,30,32)	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
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489288 (CHEMBL2316111) Show SMILES CN(CCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O)S(C)(=O)=O Show InChI InChI=1S/C20H21FN4O5S/c1-25(31(2,29)30)8-7-22-19(27)16-18(26)17-15(24-20(16)28)10-13(11-23-17)9-12-3-5-14(21)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,22,27)(H2,24,26,28)	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
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489286 (CHEMBL491336) Show SMILES CCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O Show InChI InChI=1S/C19H18FN3O3/c1-3-21-18(25)15-17(24)16-14(23(2)19(15)26)9-12(10-22-16)8-11-4-6-13(20)7-5-11/h4-7,9-10,24H,3,8H2,1-2H3,(H,21,25)	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
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489297 (CHEMBL491347) Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O Show InChI InChI=1S/C20H20FN3O4/c1-24-15-10-13(9-12-3-5-14(21)6-4-12)11-23-17(15)18(25)16(20(24)27)19(26)22-7-8-28-2/h3-6,10-11,25H,7-9H2,1-2H3,(H,22,26)	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
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489292 (CHEMBL2316127) Show SMILES C[C@H](CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O |r| Show InChI InChI=1S/C21H22FN3O4/c1-12(11-26)9-24-20(28)17-19(27)18-16(25(2)21(17)29)8-14(10-23-18)7-13-3-5-15(22)6-4-13/h3-6,8,10,12,26-27H,7,9,11H2,1-2H3,(H,24,28)/t12-/m0/s1	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
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489267 (CHEMBL522802) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O Show InChI InChI=1S/C18H16FN3O3/c1-20-17(24)14-16(23)15-13(22(2)18(14)25)8-11(9-21-15)7-10-3-5-12(19)6-4-10/h3-6,8-9,23H,7H2,1-2H3,(H,20,24)	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
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489265 (CHEMBL2316122) Show SMILES C[C@@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O |r| Show InChI InChI=1S/C20H20FN3O4/c1-11(10-25)23-19(27)16-18(26)17-15(24(2)20(16)28)8-13(9-22-17)7-12-3-5-14(21)6-4-12/h3-6,8-9,11,25-26H,7,10H2,1-2H3,(H,23,27)/t11-/m0/s1	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
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489282 (CHEMBL2316118) Show SMILES CC(C)(CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O Show InChI InChI=1S/C21H22FN3O4/c1-21(2,11-26)10-24-19(28)16-18(27)17-15(25-20(16)29)8-13(9-23-17)7-12-3-5-14(22)6-4-12/h3-6,8-9,26H,7,10-11H2,1-2H3,(H,24,28)(H2,25,27,29)	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
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					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)	BDBM50489277 (CHEMBL2316115) Show SMILES C[C@@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O |r| Show InChI InChI=1S/C19H18FN3O4/c1-10(9-24)22-18(26)15-17(25)16-14(23-19(15)27)7-12(8-21-16)6-11-2-4-13(20)5-3-11/h2-5,7-8,10,24H,6,9H2,1H3,(H,22,26)(H2,23,25,27)/t10-/m0/s1	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
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50484397 (CHEMBL1914460) Show SMILES CN(C)C(=O)Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCc2ccc(F)cc2)c1=O Show InChI InChI=1S/C27H24F2N4O4/c1-32(2)22(34)15-33-21-12-18(11-16-3-7-19(28)8-4-16)14-30-24(21)25(35)23(27(33)37)26(36)31-13-17-5-9-20(29)10-6-17/h3-10,12,14,35H,11,13,15H2,1-2H3,(H,31,36)	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
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer by biochemical assay				Bioorg Med Chem Lett 21: 6461-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.082 BindingDB Entry DOI: 10.7270/Q22Z18CH
					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)	BDBM50492497 (CHEMBL2403118) Show SMILES [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4)c(=O)c(O)c3C(=O)N1CC[C@@H](C)O2 |r| Show InChI InChI=1S/C20H20FN3O5/c1-11-6-7-24-15(29-11)10-23-9-14(17(25)18(26)16(23)20(24)28)19(27)22-8-12-2-4-13(21)5-3-12/h2-5,9,11,15,26H,6-8,10H2,1H3,(H,22,27)/t11-,15+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured afte...				J Med Chem 56: 5901-16 (2013) Article DOI: 10.1021/jm400645w BindingDB Entry DOI: 10.7270/Q21G0Q64
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489259 (CHEMBL2315832) Show SMILES CN(CCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O)S(C)(=O)=O Show InChI InChI=1S/C21H23FN4O5S/c1-25(32(3,30)31)9-8-23-20(28)17-19(27)18-16(26(2)21(17)29)11-14(12-24-18)10-13-4-6-15(22)7-5-13/h4-7,11-12,27H,8-10H2,1-3H3,(H,23,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489260 (CHEMBL2315831) Show SMILES CC(=O)NCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O Show InChI InChI=1S/C21H21FN4O4/c1-12(27)23-7-8-24-20(29)17-19(28)18-16(26(2)21(17)30)10-14(11-25-18)9-13-3-5-15(22)6-4-13/h3-6,10-11,28H,7-9H2,1-2H3,(H,23,27)(H,24,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489266 (CHEMBL2316119) Show SMILES Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCC(F)F)c1=O Show InChI InChI=1S/C19H16F3N3O3/c1-25-13-7-11(6-10-2-4-12(20)5-3-10)8-23-16(13)17(26)15(19(25)28)18(27)24-9-14(21)22/h2-5,7-8,14,26H,6,9H2,1H3,(H,24,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489269 (CHEMBL2316114) Show SMILES C[C@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O |r| Show InChI InChI=1S/C19H18FN3O4/c1-10(9-24)22-18(26)15-17(25)16-14(23-19(15)27)7-12(8-21-16)6-11-2-4-13(20)5-3-11/h2-5,7-8,10,24H,6,9H2,1H3,(H,22,26)(H2,23,25,27)/t10-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489270 (CHEMBL2316113) Show SMILES CSCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O Show InChI InChI=1S/C19H18FN3O3S/c1-27-7-6-21-18(25)15-17(24)16-14(23-19(15)26)9-12(10-22-16)8-11-2-4-13(20)5-3-11/h2-5,9-10H,6-8H2,1H3,(H,21,25)(H2,23,24,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489275 (CHEMBL492188) Show SMILES COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O Show InChI InChI=1S/C19H18FN3O4/c1-27-7-6-21-18(25)15-17(24)16-14(23-19(15)26)9-12(10-22-16)8-11-2-4-13(20)5-3-11/h2-5,9-10H,6-8H2,1H3,(H,21,25)(H2,23,24,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489279 (CHEMBL2316120) Show SMILES Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCCO)c1=O Show InChI InChI=1S/C20H20FN3O4/c1-24-15-10-13(9-12-3-5-14(21)6-4-12)11-23-17(15)18(26)16(20(24)28)19(27)22-7-2-8-25/h3-6,10-11,25-26H,2,7-9H2,1H3,(H,22,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489284 (CHEMBL2315830) Show SMILES Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCN2CCNC2=O)c1=O Show InChI InChI=1S/C22H22FN5O4/c1-27-16-11-14(10-13-2-4-15(23)5-3-13)12-26-18(16)19(29)17(21(27)31)20(30)24-6-8-28-9-7-25-22(28)32/h2-5,11-12,29H,6-10H2,1H3,(H,24,30)(H,25,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489291 (CHEMBL2316129) Show SMILES CC(C)CCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O Show InChI InChI=1S/C21H22FN3O3/c1-12(2)7-8-23-20(27)17-19(26)18-16(25-21(17)28)10-14(11-24-18)9-13-3-5-15(22)6-4-13/h3-6,10-12H,7-9H2,1-2H3,(H,23,27)(H2,25,26,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489293 (CHEMBL2316132) Show SMILES OCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O Show InChI InChI=1S/C18H16FN3O4/c19-12-3-1-10(2-4-12)7-11-8-13-15(21-9-11)16(24)14(18(26)22-13)17(25)20-5-6-23/h1-4,8-9,23H,5-7H2,(H,20,25)(H2,22,24,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					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)	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)	BDBM50489262 (CHEMBL2316128) Show SMILES Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCCN2CCCC2)c1=O Show InChI InChI=1S/C24H27FN4O3/c1-28-19-14-17(13-16-5-7-18(25)8-6-16)15-27-21(19)22(30)20(24(28)32)23(31)26-9-4-12-29-10-2-3-11-29/h5-8,14-15,30H,2-4,9-13H2,1H3,(H,26,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489264 (CHEMBL2316123) Show SMILES Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NC(C)(C)CO)c1=O Show InChI InChI=1S/C21H22FN3O4/c1-21(2,11-26)24-19(28)16-18(27)17-15(25(3)20(16)29)9-13(10-23-17)8-12-4-6-14(22)7-5-12/h4-7,9-10,26-27H,8,11H2,1-3H3,(H,24,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489268 (CHEMBL2316117) Show SMILES C[C@@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O |r| Show InChI InChI=1S/C19H18FN3O4/c1-10(24)8-22-18(26)15-17(25)16-14(23-19(15)27)7-12(9-21-16)6-11-2-4-13(20)5-3-11/h2-5,7,9-10,24H,6,8H2,1H3,(H,22,26)(H2,23,25,27)/t10-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50489276 (CHEMBL521793) Show SMILES CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O Show InChI InChI=1S/C17H14FN3O3/c1-19-16(23)13-15(22)14-12(21-17(13)24)7-10(8-20-14)6-9-2-4-11(18)5-3-9/h2-5,7-8H,6H2,1H3,(H,19,23)(H2,21,22,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 23: 422-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.071 BindingDB Entry DOI: 10.7270/Q2XK8JFB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50484383 (CHEMBL1914553) Show SMILES COc1ccccc1CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O Show InChI InChI=1S/C24H20FN3O4/c1-32-19-5-3-2-4-16(19)13-27-23(30)20-22(29)21-18(28-24(20)31)11-15(12-26-21)10-14-6-8-17(25)9-7-14/h2-9,11-12H,10,13H2,1H3,(H,27,30)(H2,28,29,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer by biochemical assay				Bioorg Med Chem Lett 21: 6461-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.082 BindingDB Entry DOI: 10.7270/Q22Z18CH
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50484392 (CHEMBL1917876) Show SMILES Oc1c(C(=O)NCc2ccc(F)cc2)c(=O)[nH]c2cc(Cc3ccc(F)cc3)cnc12 Show InChI InChI=1S/C23H17F2N3O3/c24-16-5-1-13(2-6-16)9-15-10-18-20(26-12-15)21(29)19(23(31)28-18)22(30)27-11-14-3-7-17(25)8-4-14/h1-8,10,12H,9,11H2,(H,27,30)(H2,28,29,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer by biochemical assay				Bioorg Med Chem Lett 21: 6461-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.082 BindingDB Entry DOI: 10.7270/Q22Z18CH
					More data for this Ligand-Target Pair

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