Compile Data Set for Download or QSAR

Found 1669 hits with Last Name = 'sanchez' 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
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM23398 ((2Z)-1-{5-[(4-fluorophenyl)methyl]furan-2-yl}-3-hy...) Show SMILES Fc1ccc(Cc2ccc(o2)C(=O)CC(=O)c2nnc[nH]2)cc1 Show InChI InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,9H,7-8H2,(H,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Concentration required to inhibit catalytic activity of human immuno deficiency virus type 1 integrase				J Med Chem 48: 111-20 (2005) Article DOI: 10.1021/jm0496077 BindingDB Entry DOI: 10.7270/Q28S4PD6
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM25150 ((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM50522146 (CHEMBL4469317) Show SMILES COc1ccc(CNCc2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C18H20N2O3/c1-23-17-9-6-16(7-10-17)13-19-12-15-4-2-14(3-5-15)8-11-18(21)20-22/h2-11,19,22H,12-13H2,1H3,(H,20,21)/b11-8+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50145950 ((Z)-4-{3-[[3-(3-Carboxy-3-hydroxy-acryloyl)-phenyl...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(c1)C(c1cccc(c1)C(=O)CC(=O)C(O)=O)c1ccccc1F Show InChI InChI=1S/C27H19FO8/c28-20-10-2-1-9-19(20)25(17-7-3-5-15(11-17)21(29)13-23(31)26(33)34)18-8-4-6-16(12-18)22(30)14-24(32)27(35)36/h1-12,25H,13-14H2,(H,33,34)(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase catalytic activity				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50145954 ((Z)-4-[3-(2-Fluoro-benzyl)-phenyl]-2-hydroxy-4-oxo...) Show SMILES Fc1ccccc1Cc1cccc(c1)C(=O)CC(=O)C(=O)NCCCNC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2F)c1 Show InChI InChI=1S/C37H32F2N2O6/c38-30-14-3-1-10-26(30)18-24-8-5-12-28(20-24)32(42)22-34(44)36(46)40-16-7-17-41-37(47)35(45)23-33(43)29-13-6-9-25(21-29)19-27-11-2-4-15-31(27)39/h1-6,8-15,20-21H,7,16-19,22-23H2,(H,40,46)(H,41,47)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase catalytic activity				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485906 (CHEMBL2180587) Show SMILES Oc1c(nc(NCCCCCCNC=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C23H26FN5O3/c24-17-9-7-16(8-10-17)14-28-23(32)20-21(31)19-18(6-5-13-26-19)22(29-20)27-12-4-2-1-3-11-25-15-30/h5-10,13,15,31H,1-4,11-12,14H2,(H,25,30)(H,27,29)(H,28,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50145948 ((Z)-4-[3-(2-Fluoro-benzyl)-phenyl]-2-hydroxy-4-oxo...) Show SMILES Fc1ccccc1Cc1cccc(c1)C(=O)CC(=O)C(=O)NCCNC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2F)c1 Show InChI InChI=1S/C36H30F2N2O6/c37-29-13-3-1-9-25(29)17-23-7-5-11-27(19-23)31(41)21-33(43)35(45)39-15-16-40-36(46)34(44)22-32(42)28-12-6-8-24(20-28)18-26-10-2-4-14-30(26)38/h1-14,19-20H,15-18,21-22H2,(H,39,45)(H,40,46)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase catalytic activity				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485904 (CHEMBL2180591) Show SMILES C[C@H](CO)Nc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 |r| Show InChI InChI=1S/C19H19FN4O3/c1-11(10-25)23-18-14-3-2-8-21-15(14)17(26)16(24-18)19(27)22-9-12-4-6-13(20)7-5-12/h2-8,11,25-26H,9-10H2,1H3,(H,22,27)(H,23,24)/t11-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM50522150 (CHEMBL4466520) Show SMILES COc1cccc(OC)c1CNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C19H22N2O4/c1-24-17-4-3-5-18(25-2)16(17)13-20-12-15-8-6-14(7-9-15)10-11-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b11-10+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM50522151 (CHEMBL4571280) Show SMILES COc1ccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c(OC)c1 Show InChI InChI=1S/C19H22N2O4/c1-24-17-9-8-16(18(11-17)25-2)13-20-12-15-5-3-14(4-6-15)7-10-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b10-7+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	258	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM50522148 (CHEMBL4454331) Show SMILES COc1ccccc1CNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C18H20N2O3/c1-23-17-5-3-2-4-16(17)13-19-12-15-8-6-14(7-9-15)10-11-18(21)20-22/h2-11,19,22H,12-13H2,1H3,(H,20,21)/b11-10+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM50522145 (CHEMBL4463774) Show SMILES COc1ccc(OC)c(CNCc2ccc(\C=C\C(=O)NO)cc2)c1 Show InChI InChI=1S/C19H22N2O4/c1-24-17-8-9-18(25-2)16(11-17)13-20-12-15-5-3-14(4-6-15)7-10-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b10-7+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	292	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM50522149 (CHEMBL4516302) Show SMILES COc1cccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c1OC Show InChI InChI=1S/C19H22N2O4/c1-24-17-5-3-4-16(19(17)25-2)13-20-12-15-8-6-14(7-9-15)10-11-18(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b11-10+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					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	300	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50145952 ((Z)-4-[3-(2-Fluoro-benzyl)-phenyl]-1-(4-{4-[3-(2-f...) Show SMILES Fc1ccccc1Cc1cccc(c1)C(=O)CC(=O)C(=O)N1CCN(CC1)C(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2F)c1 Show InChI InChI=1S/C38H32F2N2O6/c39-31-13-3-1-9-27(31)19-25-7-5-11-29(21-25)33(43)23-35(45)37(47)41-15-17-42(18-16-41)38(48)36(46)24-34(44)30-12-6-8-26(22-30)20-28-10-2-4-14-32(28)40/h1-14,21-22H,15-20,23-24H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase catalytic activity				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485914 (CHEMBL2180590) Show SMILES C[C@@H](CO)Nc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 |r| Show InChI InChI=1S/C19H19FN4O3/c1-11(10-25)23-18-14-3-2-8-21-15(14)17(26)16(24-18)19(27)22-9-12-4-6-13(20)7-5-12/h2-8,11,25-26H,9-10H2,1H3,(H,22,27)(H,23,24)/t11-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50145958 ((Z)-4-(3-{2-[3-(3-Carboxy-3-hydroxy-acryloyl)-phen...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2COc2cccc(c2)C(=O)CC(=O)C(O)=O)c1 Show InChI InChI=1S/C28H22O10/c29-23(13-25(31)27(33)34)17-7-3-9-21(11-17)37-15-19-5-1-2-6-20(19)16-38-22-10-4-8-18(12-22)24(30)14-26(32)28(35)36/h1-12H,13-16H2,(H,33,34)(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase catalytic activity				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485905 (CHEMBL2180589) Show SMILES OCCNc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 Show InChI InChI=1S/C18H17FN4O3/c19-12-5-3-11(4-6-12)10-22-18(26)15-16(25)14-13(2-1-7-20-14)17(23-15)21-8-9-24/h1-7,24-25H,8-10H2,(H,21,23)(H,22,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM50522142 (CHEMBL566831) Show SMILES ONC(=O)\C=C\c1ccc(CNCc2ccccc2)cc1 Show InChI InChI=1S/C17H18N2O2/c20-17(19-21)11-10-14-6-8-16(9-7-14)13-18-12-15-4-2-1-3-5-15/h1-11,18,21H,12-13H2,(H,19,20)/b11-10+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM50522144 (CHEMBL4466864) Show SMILES COc1ccc(CNCc2ccc(\C=C\C(=O)NO)cc2)cc1OC Show InChI InChI=1S/C19H22N2O4/c1-24-17-9-7-16(11-18(17)25-2)13-20-12-15-5-3-14(4-6-15)8-10-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b10-8+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	371	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476357 (CHEMBL389930) Show SMILES OC(=O)C(=O)CC(=O)c1cc2ccccc2c2ccccc12 Show InChI InChI=1S/C18H12O4/c19-16(10-17(20)18(21)22)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9H,10H2,(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem 15: 1212-28 (2007) Article DOI: 10.1016/j.bmc.2006.11.026 BindingDB Entry DOI: 10.7270/Q2CV4MHB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50017683 (CHEMBL3286423) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OCc1ccc(F)cc1)c2=O Show InChI InChI=1S/C22H15FO7/c23-13-4-1-11(2-5-13)10-29-22-20(28)19-17(27)8-14(24)9-18(19)30-21(22)12-3-6-15(25)16(26)7-12/h1-9,24-27H,10H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
South China Normal University Curated by ChEMBL					Assay Description Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...				Bioorg Med Chem 22: 3146-58 (2014) Article DOI: 10.1016/j.bmc.2014.04.016 BindingDB Entry DOI: 10.7270/Q2XG9SPQ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522146 (CHEMBL4469317) Show SMILES COc1ccc(CNCc2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C18H20N2O3/c1-23-17-9-6-16(7-10-17)13-19-12-15-4-2-14(3-5-15)8-11-18(21)20-22/h2-11,19,22H,12-13H2,1H3,(H,20,21)/b11-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	381	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479075 (CHEMBL492770) Show SMILES OC(=O)C(\O)=C\C(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-10,19H,11H2,(H,20,21)/b16-10-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<400	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...				Bioorg Med Chem 16: 7777-87 (2008) Article DOI: 10.1016/j.bmc.2008.07.008 BindingDB Entry DOI: 10.7270/Q2M90CG4
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50095515 (4-[3-(2-Fluoro-benzyl)-phenyl]-2,4-dioxo-butyric a...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2F)c1 Show InChI InChI=1S/C17H13FO4/c18-14-7-2-1-5-12(14)8-11-4-3-6-13(9-11)15(19)10-16(20)17(21)22/h1-7,9H,8,10H2,(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase catalytic activity				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479066 (CHEMBL454190) Show SMILES O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)NC1CCN(CC1)C(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C39H36N2O8/c42-34(29-13-7-15-32(21-29)48-25-27-9-3-1-4-10-27)23-36(44)38(46)40-31-17-19-41(20-18-31)39(47)37(45)24-35(43)30-14-8-16-33(22-30)49-26-28-11-5-2-6-12-28/h1-16,21-22,31H,17-20,23-26H2,(H,40,46)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<400	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...				Bioorg Med Chem 16: 7777-87 (2008) Article DOI: 10.1016/j.bmc.2008.07.008 BindingDB Entry DOI: 10.7270/Q2M90CG4
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479081 (CHEMBL467149) Show SMILES COc1ccc(cc1OCc1ccccc1)C(=O)\C=C(/O)C(O)=O Show InChI InChI=1S/C18H16O6/c1-23-16-8-7-13(14(19)10-15(20)18(21)22)9-17(16)24-11-12-5-3-2-4-6-12/h2-10,20H,11H2,1H3,(H,21,22)/b15-10-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<400	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...				Bioorg Med Chem 16: 7777-87 (2008) Article DOI: 10.1016/j.bmc.2008.07.008 BindingDB Entry DOI: 10.7270/Q2M90CG4
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50145957 ((Z)-4-(3-{3-[3-(3-Carboxy-3-hydroxy-acryloyl)-phen...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2cccc(COc3cccc(c3)C(=O)CC(=O)C(O)=O)c2)c1 Show InChI InChI=1S/C28H22O10/c29-23(13-25(31)27(33)34)19-6-2-8-21(11-19)37-15-17-4-1-5-18(10-17)16-38-22-9-3-7-20(12-22)24(30)14-26(32)28(35)36/h1-12H,13-16H2,(H,33,34)(H,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase catalytic activity				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM50522143 (CHEMBL4518387) Show SMILES COc1cc(CNCc2ccc(\C=C\C(=O)NO)cc2)cc(OC)c1 Show InChI InChI=1S/C19H22N2O4/c1-24-17-9-16(10-18(11-17)25-2)13-20-12-15-5-3-14(4-6-15)7-8-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b8-7+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	415	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM50522147 (CHEMBL4573804) Show SMILES COc1cccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c1 Show InChI InChI=1S/C18H20N2O3/c1-23-17-4-2-3-16(11-17)13-19-12-15-7-5-14(6-8-15)9-10-18(21)20-22/h2-11,19,22H,12-13H2,1H3,(H,20,21)/b10-9+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522151 (CHEMBL4571280) Show SMILES COc1ccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c(OC)c1 Show InChI InChI=1S/C19H22N2O4/c1-24-17-9-8-16(18(11-17)25-2)13-20-12-15-5-3-14(4-6-15)7-10-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	449	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
South China Normal University Curated by ChEMBL					Assay Description Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...				Bioorg Med Chem 22: 3146-58 (2014) Article DOI: 10.1016/j.bmc.2014.04.016 BindingDB Entry DOI: 10.7270/Q2XG9SPQ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522147 (CHEMBL4573804) Show SMILES COc1cccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c1 Show InChI InChI=1S/C18H20N2O3/c1-23-17-4-2-3-16(11-17)13-19-12-15-7-5-14(6-8-15)9-10-18(21)20-22/h2-11,19,22H,12-13H2,1H3,(H,20,21)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	463	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50023421 (CHEMBL3334637) Show SMILES Cc1ccc(CNC(=O)c2nc([nH]c(=O)c2O)-c2ccc(F)cc2)cc1C Show InChI InChI=1S/C20H18FN3O3/c1-11-3-4-13(9-12(11)2)10-22-19(26)16-17(25)20(27)24-18(23-16)14-5-7-15(21)8-6-14/h3-9,25H,10H2,1-2H3,(H,22,26)(H,23,24,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay				Bioorg Med Chem 22: 5446-53 (2014) Article DOI: 10.1016/j.bmc.2014.07.036 BindingDB Entry DOI: 10.7270/Q2WM1G02
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50485907 (CHEMBL2180599) Show SMILES Oc1c(nc(Br)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C16H11BrFN3O2/c17-15-11-2-1-7-19-12(11)14(22)13(21-15)16(23)20-8-9-3-5-10(18)6-4-9/h1-7,22H,8H2,(H,20,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate				J Med Chem 55: 9492-509 (2012) Article DOI: 10.1021/jm300667v BindingDB Entry DOI: 10.7270/Q2KS6VF8
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50023423 (CHEMBL3334635) Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1ccc(Br)cc1 Show InChI InChI=1S/C18H13BrFN3O3/c19-12-5-1-10(2-6-12)9-21-17(25)14-15(24)18(26)23-16(22-14)11-3-7-13(20)8-4-11/h1-8,24H,9H2,(H,21,25)(H,22,23,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay				Bioorg Med Chem 22: 5446-53 (2014) Article DOI: 10.1016/j.bmc.2014.07.036 BindingDB Entry DOI: 10.7270/Q2WM1G02
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(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	500	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase catalytic activity				J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476341 (CHEMBL225681) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2ccc3cccc4ccc1c2c34 Show InChI InChI=1S/C20H12O4/c21-16(10-17(22)20(23)24)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)19(13)18(11)12/h1-9H,10H2,(H,23,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem 15: 1212-28 (2007) Article DOI: 10.1016/j.bmc.2006.11.026 BindingDB Entry DOI: 10.7270/Q2CV4MHB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1 Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity by PAGE				Bioorg Med Chem 17: 2925-35 (2009) Article DOI: 10.1016/j.bmc.2008.10.088 BindingDB Entry DOI: 10.7270/Q2D50QS2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476348 (GSK-S-1360 | GW-810781 | Gw810781 | S 1360 | S-136...) Show SMILES O\C(=C/C(=O)c1ccc(Cc2ccc(F)cc2)o1)c1nc[nH]n1 Show InChI InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,8-9,22H,7H2,(H,18,19,20)/b14-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis				Bioorg Med Chem Lett 23: 6146-51 (2013) Article DOI: 10.1016/j.bmcl.2013.09.009 BindingDB Entry DOI: 10.7270/Q2PC35B9
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476348 (GSK-S-1360 | GW-810781 | Gw810781 | S 1360 | S-136...) Show SMILES O\C(=C/C(=O)c1ccc(Cc2ccc(F)cc2)o1)c1nc[nH]n1 Show InChI InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,8-9,22H,7H2,(H,18,19,20)/b14-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis				Bioorg Med Chem 19: 2030-45 (2011) Article DOI: 10.1016/j.bmc.2011.01.047 BindingDB Entry DOI: 10.7270/Q2DN47WZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
South China Normal University Curated by ChEMBL					Assay Description Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...				Bioorg Med Chem 22: 3146-58 (2014) Article DOI: 10.1016/j.bmc.2014.04.016 BindingDB Entry DOI: 10.7270/Q2XG9SPQ
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Integrase (Human immunodeficiency virus 1)	BDBM50477606 (CHEMBL240506) Show SMILES Oc1c(\C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc(Br)cc1[N+]([O-])=O Show InChI InChI=1S/C22H17BrN8O3/c23-15-11-14(19(32)18(12-15)31(33)34)13-24-30-22-28-20(25-16-7-3-1-4-8-16)27-21(29-22)26-17-9-5-2-6-10-17/h1-13,32H,(H3,25,26,27,28,29,30)/b24-13+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem 15: 4985-5002 (2007) Article DOI: 10.1016/j.bmc.2007.04.041 BindingDB Entry DOI: 10.7270/Q2SN0CRQ
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Integrase (Human immunodeficiency virus 1)	BDBM50479058 (CHEMBL467380) Show SMILES COC(=O)C(\O)=C\C(=O)c1cccc(Cc2ccccc2F)c1 Show InChI InChI=1S/C18H15FO4/c1-23-18(22)17(21)11-16(20)14-7-4-5-12(10-14)9-13-6-2-3-8-15(13)19/h2-8,10-11,21H,9H2,1H3/b17-11-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho...				Bioorg Med Chem 16: 7777-87 (2008) Article DOI: 10.1016/j.bmc.2008.07.008 BindingDB Entry DOI: 10.7270/Q2M90CG4
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Integrase (Human immunodeficiency virus 1)	BDBM50023425 (CHEMBL3334633) Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C18H13F2N3O3/c19-12-5-1-10(2-6-12)9-21-17(25)14-15(24)18(26)23-16(22-14)11-3-7-13(20)8-4-11/h1-8,24H,9H2,(H,21,25)(H,22,23,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay				Bioorg Med Chem 22: 5446-53 (2014) Article DOI: 10.1016/j.bmc.2014.07.036 BindingDB Entry DOI: 10.7270/Q2WM1G02
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476348 (GSK-S-1360 | GW-810781 | Gw810781 | S 1360 | S-136...) Show SMILES O\C(=C/C(=O)c1ccc(Cc2ccc(F)cc2)o1)c1nc[nH]n1 Show InChI InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,8-9,22H,7H2,(H,18,19,20)/b14-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem 15: 1212-28 (2007) Article DOI: 10.1016/j.bmc.2006.11.026 BindingDB Entry DOI: 10.7270/Q2CV4MHB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522149 (CHEMBL4516302) Show SMILES COc1cccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c1OC Show InChI InChI=1S/C19H22N2O4/c1-24-17-5-3-4-16(19(17)25-2)13-20-12-15-8-6-14(7-9-15)10-11-18(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	602	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002 BindingDB Entry DOI: 10.7270/Q2T43XG1
					More data for this Ligand-Target Pair

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