Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'dupont' and Initial = 'r'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrase (Human immunodeficiency virus 1)	BDBM50107097 (17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6...) Show SMILES Oc1cc2CC3OC(Cc4cc(O)c(O)cc34)c2cc1O Show InChI InChI=1S/C16H14O5/c17-11-1-7-3-15-10-6-14(20)12(18)2-8(10)4-16(21-15)9(7)5-13(11)19/h1-2,5-6,15-20H,3-4H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies de Lille Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase				Bioorg Med Chem Lett 11: 3175-8 (2001) BindingDB Entry DOI: 10.7270/Q2959GVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50107095 (6-(3,4-Dihydroxy-phenyl)-naphthalene-2,3-diol | 6-...) Show SMILES Oc1ccc(cc1O)-c1ccc2cc(O)c(O)cc2c1 Show InChI InChI=1S/C16H12O4/c17-13-4-3-10(6-14(13)18)9-1-2-11-7-15(19)16(20)8-12(11)5-9/h1-8,17-20H	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies de Lille Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase				Bioorg Med Chem Lett 11: 3175-8 (2001) BindingDB Entry DOI: 10.7270/Q2959GVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50107098 (5,7-Dimethyl-6-(3-trifluoromethyl-phenyl)-naphthal...) Show SMILES Cc1cc2cc(O)c(O)cc2c(C)c1-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H15F3O2/c1-10-6-13-8-16(23)17(24)9-15(13)11(2)18(10)12-4-3-5-14(7-12)19(20,21)22/h3-9,23-24H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies de Lille Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase				Bioorg Med Chem Lett 11: 3175-8 (2001) BindingDB Entry DOI: 10.7270/Q2959GVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50107104 (5,7-Dimethyl-6-(4-trifluoromethyl-phenyl)-naphthal...) Show SMILES Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H15F3O2/c1-10-7-13-8-16(23)17(24)9-15(13)11(2)18(10)12-3-5-14(6-4-12)19(20,21)22/h3-9,23-24H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies de Lille Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase				Bioorg Med Chem Lett 11: 3175-8 (2001) BindingDB Entry DOI: 10.7270/Q2959GVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50107094 (5,7-Dimethyl-6-(2-trifluoromethyl-phenyl)-naphthal...) Show SMILES Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccccc1C(F)(F)F |(11.98,-5.06,;10.62,-5.84,;9.29,-5.07,;7.96,-5.84,;6.63,-5.07,;5.3,-5.84,;3.95,-5.06,;5.3,-7.38,;3.95,-8.15,;6.63,-8.15,;7.96,-7.38,;9.29,-8.15,;9.29,-9.69,;10.62,-7.38,;11.95,-8.15,;11.95,-9.71,;13.28,-10.48,;14.64,-9.71,;14.64,-8.15,;13.3,-7.38,;13.3,-5.84,;13.3,-4.3,;11.76,-5.84,;14.84,-5.84,)| Show InChI InChI=1S/C19H15F3O2/c1-10-7-12-8-16(23)17(24)9-14(12)11(2)18(10)13-5-3-4-6-15(13)19(20,21)22/h3-9,23-24H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies de Lille Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase				Bioorg Med Chem Lett 11: 3175-8 (2001) BindingDB Entry DOI: 10.7270/Q2959GVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50107096 (6-(3,4-Dihydroxy-phenyl)-5,7-dimethyl-naphthalene-...) Show SMILES Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H16O4/c1-9-5-12-7-16(21)17(22)8-13(12)10(2)18(9)11-3-4-14(19)15(20)6-11/h3-8,19-22H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies de Lille Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase				Bioorg Med Chem Lett 11: 3175-8 (2001) BindingDB Entry DOI: 10.7270/Q2959GVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50107103 (5,7-Dimethyl-6-phenyl-naphthalene-2,3-diol | CHEMB...) Show SMILES Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccccc1 Show InChI InChI=1S/C18H16O2/c1-11-8-14-9-16(19)17(20)10-15(14)12(2)18(11)13-6-4-3-5-7-13/h3-10,19-20H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies de Lille Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase				Bioorg Med Chem Lett 11: 3175-8 (2001) BindingDB Entry DOI: 10.7270/Q2959GVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50107099 (5,7-Dimethyl-6-p-tolyl-naphthalene-2,3-diol | CHEM...) Show SMILES Cc1ccc(cc1)-c1c(C)cc2cc(O)c(O)cc2c1C Show InChI InChI=1S/C19H18O2/c1-11-4-6-14(7-5-11)19-12(2)8-15-9-17(20)18(21)10-16(15)13(19)3/h4-10,20-21H,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies de Lille Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase				Bioorg Med Chem Lett 11: 3175-8 (2001) BindingDB Entry DOI: 10.7270/Q2959GVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50107107 (6-(4-Fluoro-phenyl)-5,7-dimethyl-naphthalene-2,3-d...) Show SMILES Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccc(F)cc1 Show InChI InChI=1S/C18H15FO2/c1-10-7-13-8-16(20)17(21)9-15(13)11(2)18(10)12-3-5-14(19)6-4-12/h3-9,20-21H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.38E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies de Lille Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase				Bioorg Med Chem Lett 11: 3175-8 (2001) BindingDB Entry DOI: 10.7270/Q2959GVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50107100 (4-(1,3,7-Trimethyl-naphthalen-2-yl)-benzene-1,2-di...) Show SMILES Cc1ccc2cc(C)c(-c3ccc(O)c(O)c3)c(C)c2c1 Show InChI InChI=1S/C19H18O2/c1-11-4-5-14-9-12(2)19(13(3)16(14)8-11)15-6-7-17(20)18(21)10-15/h4-10,20-21H,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies de Lille Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase				Bioorg Med Chem Lett 11: 3175-8 (2001) BindingDB Entry DOI: 10.7270/Q2959GVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50107101 (6-(2-Fluoro-phenyl)-5,7-dimethyl-naphthalene-2,3-d...) Show SMILES Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccccc1F |(14.38,-1.87,;13.05,-2.64,;11.72,-1.85,;10.39,-2.64,;9.04,-1.87,;7.71,-2.64,;6.38,-1.87,;7.71,-4.19,;6.38,-4.96,;9.04,-4.96,;10.37,-4.18,;11.72,-4.96,;11.7,-6.5,;13.05,-4.18,;14.38,-4.95,;14.36,-6.47,;15.68,-7.26,;17.02,-6.5,;17.02,-4.97,;15.71,-4.19,;15.73,-2.65,)| Show InChI InChI=1S/C18H15FO2/c1-10-7-12-8-16(20)17(21)9-14(12)11(2)18(10)13-5-3-4-6-15(13)19/h3-9,20-21H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies de Lille Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase				Bioorg Med Chem Lett 11: 3175-8 (2001) BindingDB Entry DOI: 10.7270/Q2959GVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50107102 (4-(7-Fluoro-1,3-dimethyl-naphthalen-2-yl)-benzene-...) Show SMILES Cc1cc2ccc(F)cc2c(C)c1-c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H15FO2/c1-10-7-12-3-5-14(19)9-15(12)11(2)18(10)13-4-6-16(20)17(21)8-13/h3-9,20-21H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies de Lille Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase				Bioorg Med Chem Lett 11: 3175-8 (2001) BindingDB Entry DOI: 10.7270/Q2959GVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50107105 (4-(1,3-Dimethyl-naphthalen-2-yl)-benzene-1,2-diol ...) Show SMILES Cc1cc2ccccc2c(C)c1-c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H16O2/c1-11-9-13-5-3-4-6-15(13)12(2)18(11)14-7-8-16(19)17(20)10-14/h3-10,19-20H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies de Lille Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase				Bioorg Med Chem Lett 11: 3175-8 (2001) BindingDB Entry DOI: 10.7270/Q2959GVJ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50107106 (4-(5-Fluoro-1,3-dimethyl-naphthalen-2-yl)-benzene-...) Show SMILES Cc1cc2c(F)cccc2c(C)c1-c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H15FO2/c1-10-8-14-13(4-3-5-15(14)19)11(2)18(10)12-6-7-16(20)17(21)9-12/h3-9,20-21H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies de Lille Curated by ChEMBL					Assay Description Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase				Bioorg Med Chem Lett 11: 3175-8 (2001) BindingDB Entry DOI: 10.7270/Q2959GVJ
					More data for this Ligand-Target Pair