Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'palamara' and Initial = 'at'   

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
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50002747 (CHEMBL217546) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H16ClN3O3S/c16-11-6-4-10(5-7-11)12-9-14(21)18-15(17-12)23-8-2-1-3-13(20)19-22/h4-7,9,22H,1-3,8H2,(H,19,20)(H,17,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.83	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of maize HD1-A (mean)				Bioorg Med Chem Lett 17: 1221-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.028 BindingDB Entry DOI: 10.7270/Q29W0H0K
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50002746 (CHEMBL217545) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H16ClN3O3S/c16-11-5-3-4-10(8-11)12-9-14(21)18-15(17-12)23-7-2-1-6-13(20)19-22/h3-5,8-9,22H,1-2,6-7H2,(H,19,20)(H,17,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.65	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of maize HD1-A (mean)				Bioorg Med Chem Lett 17: 1221-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.028 BindingDB Entry DOI: 10.7270/Q29W0H0K
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50123468 (CHEMBL32865 | [3-Benzyl-5-(1,1-dioxo-1lambda 6 -is...) Show SMILES Oc1c(ncc2cccnc12)C(=O)c1cc(CN2CCCS2(=O)=O)cc(Cc2ccccc2)c1 Show InChI InChI=1S/C26H23N3O4S/c30-25(24-26(31)23-21(16-28-24)8-4-9-27-23)22-14-19(12-18-6-2-1-3-7-18)13-20(15-22)17-29-10-5-11-34(29,32)33/h1-4,6-9,13-16,31H,5,10-12,17H2	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Histone deacetylase (Zea mays)	BDBM50002746 (CHEMBL217545) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H16ClN3O3S/c16-11-5-3-4-10(8-11)12-9-14(21)18-15(17-12)23-7-2-1-6-13(20)19-22/h3-5,8-9,22H,1-2,6-7H2,(H,19,20)(H,17,18,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of maize HD1-B (mean)				Bioorg Med Chem Lett 17: 1221-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.028 BindingDB Entry DOI: 10.7270/Q29W0H0K
					More data for this Ligand-Target Pair
Histone deacetylase (Zea mays)	BDBM50002747 (CHEMBL217546) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H16ClN3O3S/c16-11-6-4-10(5-7-11)12-9-14(21)18-15(17-12)23-8-2-1-3-13(20)19-22/h4-7,9,22H,1-3,8H2,(H,19,20)(H,17,18,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of maize HD1-B (mean)				Bioorg Med Chem Lett 17: 1221-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.028 BindingDB Entry DOI: 10.7270/Q29W0H0K
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MnCl2				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479082 (CHEMBL497501) Show SMILES OC(=O)C(\O)=C\C(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-9,11,29-30H,10H2,(H,32,33)(H,34,35)/b20-8-,21-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MgCl2 by plate-based electrochemiluminescent assay				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50002747 (CHEMBL217546) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H16ClN3O3S/c16-11-6-4-10(5-7-11)12-9-14(21)18-15(17-12)23-8-2-1-3-13(20)19-22/h4-7,9,22H,1-3,8H2,(H,19,20)(H,17,18,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of maize HD2 (mean)				Bioorg Med Chem Lett 17: 1221-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.028 BindingDB Entry DOI: 10.7270/Q29W0H0K
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479082 (CHEMBL497501) Show SMILES OC(=O)C(\O)=C\C(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-9,11,29-30H,10H2,(H,32,33)(H,34,35)/b20-8-,21-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50002746 (CHEMBL217545) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H16ClN3O3S/c16-11-5-3-4-10(8-11)12-9-14(21)18-15(17-12)23-7-2-1-6-13(20)19-22/h3-5,8-9,22H,1-2,6-7H2,(H,19,20)(H,17,18,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of maize HD2 (mean)				Bioorg Med Chem Lett 17: 1221-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.028 BindingDB Entry DOI: 10.7270/Q29W0H0K
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MgCl2 by gel-based assay				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479098 (CHEMBL498698) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2c(F)cccc2c1=O Show InChI InChI=1S/C20H13F2NO5/c21-12-6-4-11(5-7-12)9-23-10-14(16(24)8-17(25)20(27)28)19(26)13-2-1-3-15(22)18(13)23/h1-8,10,25H,9H2,(H,27,28)/b17-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479086 (CHEMBL497688) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C20H13ClFNO5/c21-12-3-6-14-16(7-12)23(9-11-1-4-13(22)5-2-11)10-15(19(14)26)17(24)8-18(25)20(27)28/h1-8,10,25H,9H2,(H,27,28)/b18-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479087 (CHEMBL498697) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(F)ccc2c1=O Show InChI InChI=1S/C20H13F2NO5/c21-12-3-1-11(2-4-12)9-23-10-15(17(24)8-18(25)20(27)28)19(26)14-6-5-13(22)7-16(14)23/h1-8,10,25H,9H2,(H,27,28)/b18-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Histone deacetylase (Zea mays)	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	26.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of maize HD1-B (mean)				Bioorg Med Chem Lett 17: 1221-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.028 BindingDB Entry DOI: 10.7270/Q29W0H0K
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479084 (CHEMBL496454) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(ccc2c1=O)N1CCCC1 Show InChI InChI=1S/C24H21FN2O5/c25-16-5-3-15(4-6-16)13-27-14-19(21(28)12-22(29)24(31)32)23(30)18-8-7-17(11-20(18)27)26-9-1-2-10-26/h3-8,11-12,14,29H,1-2,9-10,13H2,(H,31,32)/b22-12-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479097 (CHEMBL496652) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc2c1=O Show InChI InChI=1S/C20H13ClFNO5/c21-12-3-6-16-14(7-12)19(26)15(17(24)8-18(25)20(27)28)10-23(16)9-11-1-4-13(22)5-2-11/h1-8,10,25H,9H2,(H,27,28)/b18-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479096 (CHEMBL498713) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)c(Cl)cc2c1=O Show InChI InChI=1S/C20H12Cl2FNO5/c21-14-5-12-16(6-15(14)22)24(8-10-1-3-11(23)4-2-10)9-13(19(12)27)17(25)7-18(26)20(28)29/h1-7,9,26H,8H2,(H,28,29)/b18-7-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM50002746 (CHEMBL217545) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H16ClN3O3S/c16-11-5-3-4-10(8-11)12-9-14(21)18-15(17-12)23-7-2-1-6-13(20)19-22/h3-5,8-9,22H,1-2,6-7H2,(H,19,20)(H,17,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36.7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of mouse HDAC1 (mean)				Bioorg Med Chem Lett 17: 1221-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.028 BindingDB Entry DOI: 10.7270/Q29W0H0K
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479102 (CHEMBL512195) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O Show InChI InChI=1S/C20H14FNO5/c21-13-7-5-12(6-8-13)10-22-11-15(17(23)9-18(24)20(26)27)19(25)14-3-1-2-4-16(14)22/h1-9,11,24H,10H2,(H,26,27)/b18-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	49.2	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of maize HD2 (mean)				Bioorg Med Chem Lett 17: 1221-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.028 BindingDB Entry DOI: 10.7270/Q29W0H0K
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479087 (CHEMBL498697) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(F)ccc2c1=O Show InChI InChI=1S/C20H13F2NO5/c21-12-3-1-11(2-4-12)9-23-10-15(17(24)8-18(25)20(27)28)19(26)14-6-5-13(22)7-16(14)23/h1-8,10,25H,9H2,(H,27,28)/b18-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					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	50	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM50002747 (CHEMBL217546) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H16ClN3O3S/c16-11-6-4-10(5-7-11)12-9-14(21)18-15(17-12)23-8-2-1-3-13(20)19-22/h4-7,9,22H,1-3,8H2,(H,19,20)(H,17,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50.9	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of mouse HDAC1 (mean)				Bioorg Med Chem Lett 17: 1221-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.028 BindingDB Entry DOI: 10.7270/Q29W0H0K
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479102 (CHEMBL512195) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O Show InChI InChI=1S/C20H14FNO5/c21-13-7-5-12(6-8-13)10-22-11-15(17(23)9-18(24)20(26)27)19(25)14-3-1-2-4-16(14)22/h1-9,11,24H,10H2,(H,26,27)/b18-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479096 (CHEMBL498713) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)c(Cl)cc2c1=O Show InChI InChI=1S/C20H12Cl2FNO5/c21-14-5-12-16(6-15(14)22)24(8-10-1-3-11(23)4-2-10)9-13(19(12)27)17(25)7-18(26)20(28)29/h1-7,9,26H,8H2,(H,28,29)/b18-7-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479086 (CHEMBL497688) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)ccc2c1=O Show InChI InChI=1S/C20H13ClFNO5/c21-12-3-6-14-16(7-12)23(9-11-1-4-13(22)5-2-11)10-15(19(14)26)17(24)8-18(25)20(27)28/h1-8,10,25H,9H2,(H,27,28)/b18-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of mouse HDAC1 (mean)				Bioorg Med Chem Lett 17: 1221-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.028 BindingDB Entry DOI: 10.7270/Q29W0H0K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50479098 (CHEMBL498698) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2c(F)cccc2c1=O Show InChI InChI=1S/C20H13F2NO5/c21-12-6-4-11(5-7-12)9-23-10-14(16(24)8-17(25)20(27)28)19(26)13-2-1-3-15(22)18(13)23/h1-8,10,25H,9H2,(H,27,28)/b17-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of maize HD1-A (mean)				Bioorg Med Chem Lett 17: 1221-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.028 BindingDB Entry DOI: 10.7270/Q29W0H0K
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479084 (CHEMBL496454) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(ccc2c1=O)N1CCCC1 Show InChI InChI=1S/C24H21FN2O5/c25-16-5-3-15(4-6-16)13-27-14-19(21(28)12-22(29)24(31)32)23(30)18-8-7-17(11-20(18)27)26-9-1-2-10-26/h3-8,11-12,14,29H,1-2,9-10,13H2,(H,31,32)/b22-12-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	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
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-processing activity in presence of MnCl2				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479085 (CHEMBL524807) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2c(Cl)cccc2c1=O Show InChI InChI=1S/C20H13ClFNO5/c21-15-3-1-2-13-18(15)23(9-11-4-6-12(22)7-5-11)10-14(19(13)26)16(24)8-17(25)20(27)28/h1-8,10,25H,9H2,(H,27,28)/b17-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479092 (CHEMBL504621) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(F)cc2c1=O Show InChI InChI=1S/C22H17F2NO5/c1-2-30-22(29)20(27)10-19(26)17-12-25(11-13-3-5-14(23)6-4-13)18-8-7-15(24)9-16(18)21(17)28/h3-10,12,27H,2,11H2,1H3/b20-10-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184346 ((Z)-4-[6-((Z)-3-ethoxycarbonyl-3-hydroxy-acryloyl)...) Show SMILES CCOC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(=O)OCC)c(=O)c2c1 Show InChI InChI=1S/C28H24FNO9/c1-3-38-27(36)24(33)12-22(31)17-7-10-21-19(11-17)26(35)20(23(32)13-25(34)28(37)39-4-2)15-30(21)14-16-5-8-18(29)9-6-16/h5-11,15H,3-4,12-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MnCl2				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184346 ((Z)-4-[6-((Z)-3-ethoxycarbonyl-3-hydroxy-acryloyl)...) Show SMILES CCOC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(=O)OCC)c(=O)c2c1 Show InChI InChI=1S/C28H24FNO9/c1-3-38-27(36)24(33)12-22(31)17-7-10-21-19(11-17)26(35)20(23(32)13-25(34)28(37)39-4-2)15-30(21)14-16-5-8-18(29)9-6-16/h5-11,15H,3-4,12-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MgCl2 by gel-based assay				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479088 (CHEMBL456580) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(F)cc2c1=O Show InChI InChI=1S/C20H13F2NO5/c21-12-3-1-11(2-4-12)9-23-10-15(17(24)8-18(25)20(27)28)19(26)14-7-13(22)5-6-16(14)23/h1-8,10,25H,9H2,(H,27,28)/b18-8-	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
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184346 ((Z)-4-[6-((Z)-3-ethoxycarbonyl-3-hydroxy-acryloyl)...) Show SMILES CCOC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(=O)OCC)c(=O)c2c1 Show InChI InChI=1S/C28H24FNO9/c1-3-38-27(36)24(33)12-22(31)17-7-10-21-19(11-17)26(35)20(23(32)13-25(34)28(37)39-4-2)15-30(21)14-16-5-8-18(29)9-6-16/h5-11,15H,3-4,12-14H2,1-2H3	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
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MgCl2 by plate-based electrochemiluminescent assay				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479097 (CHEMBL496652) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc2c1=O Show InChI InChI=1S/C20H13ClFNO5/c21-12-3-6-16-14(7-12)19(26)15(17(24)8-18(25)20(27)28)10-23(16)9-11-1-4-13(22)5-2-11/h1-8,10,25H,9H2,(H,27,28)/b18-8-	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
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184347 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-4-oxo-...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2ncc(C(=O)CC(=O)C(O)=O)c(O)c2c1 Show InChI InChI=1S/C17H11NO9/c19-11(4-13(21)16(24)25)7-1-2-10-8(3-7)15(23)9(6-18-10)12(20)5-14(22)17(26)27/h1-3,6H,4-5H2,(H,18,23)(H,24,25)(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity in presence of MnCl2				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50184349 ((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Università di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-processing activity in presence of MgCl2				J Med Chem 49: 1939-45 (2006) Article DOI: 10.1021/jm0511583 BindingDB Entry DOI: 10.7270/Q2GT5MRF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479082 (CHEMBL497501) Show SMILES OC(=O)C(\O)=C\C(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c(=O)c2c1 Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-9,11,29-30H,10H2,(H,32,33)(H,34,35)/b20-8-,21-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase 3'-end processing activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479091 (CHEMBL458064) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O Show InChI InChI=1S/C22H18FNO5/c1-2-29-22(28)20(26)11-19(25)17-13-24(12-14-7-9-15(23)10-8-14)18-6-4-3-5-16(18)21(17)27/h3-11,13,26H,2,12H2,1H3/b20-11-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479085 (CHEMBL524807) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2c(Cl)cccc2c1=O Show InChI InChI=1S/C20H13ClFNO5/c21-15-3-1-2-13-18(15)23(9-11-4-6-12(22)7-5-11)10-14(19(13)26)16(24)8-17(25)20(27)28/h1-8,10,25H,9H2,(H,27,28)/b17-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479092 (CHEMBL504621) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(F)cc2c1=O Show InChI InChI=1S/C22H17F2NO5/c1-2-30-22(29)20(27)10-19(26)17-12-25(11-13-3-5-14(23)6-4-13)18-8-7-15(24)9-16(18)21(17)28/h3-10,12,27H,2,11H2,1H3/b20-10-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479091 (CHEMBL458064) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O Show InChI InChI=1S/C22H18FNO5/c1-2-29-22(28)20(26)11-19(25)17-13-24(12-14-7-9-15(23)10-8-14)18-6-4-3-5-16(18)21(17)27/h3-11,13,26H,2,12H2,1H3/b20-11-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479105 (CHEMBL458275) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(F)ccc2c1=O Show InChI InChI=1S/C22H17F2NO5/c1-2-30-22(29)20(27)10-19(26)17-12-25(11-13-3-5-14(23)6-4-13)18-9-15(24)7-8-16(18)21(17)28/h3-10,12,27H,2,11H2,1H3/b20-10-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479105 (CHEMBL458275) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(F)ccc2c1=O Show InChI InChI=1S/C22H17F2NO5/c1-2-30-22(29)20(27)10-19(26)17-12-25(11-13-3-5-14(23)6-4-13)18-9-15(24)7-8-16(18)21(17)28/h3-10,12,27H,2,11H2,1H3/b20-10-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50479089 (CHEMBL456158) Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)c(Cl)cc2c1=O Show InChI InChI=1S/C22H16Cl2FNO5/c1-2-31-22(30)20(28)9-19(27)15-11-26(10-12-3-5-13(25)6-4-12)18-8-17(24)16(23)7-14(18)21(15)29/h3-9,11,28H,2,10H2,1H3/b20-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium				J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P
					More data for this Ligand-Target Pair

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