Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50031679   

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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317140 (5-(2-(diethylamino)ethylamino)-7-hydroxy-8,9-dimet...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1c(O)c(OC)c(OC)cc31 Show InChI InChI=1S/C22H26N4O4/c1-5-25(6-2)10-9-23-13-7-8-14-19-17(13)20(27)18-15(26(19)12-24-14)11-16(29-3)22(30-4)21(18)28/h7-8,11-12,23,28H,5-6,9-10H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50008356 (5-(2-(diethylamino)ethylamino)-8-methoxy-1-methyl-...) Show SMILES CCN(CC)CCNc1ccc2nc(C)n3c2c1c(=O)c1cc(OC)ccc31 Show InChI InChI=1S/C22H26N4O2/c1-5-25(6-2)12-11-23-17-8-9-18-21-20(17)22(27)16-13-15(28-4)7-10-19(16)26(21)14(3)24-18/h7-10,13,23H,5-6,11-12H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50008344 (5-(2-(diethylamino)ethylamino)-8-hydroxy-1-methyl-...) Show SMILES CCN(CC)CCNc1ccc2nc(C)n3c2c1c(=O)c1cc(O)ccc31 Show InChI InChI=1S/C21H24N4O2/c1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(27)15-12-14(26)6-9-18(15)25(20)13(3)23-17/h6-9,12,22,26H,4-5,10-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317138 (5-(2-(diethylamino)ethylamino)-7,10-dimethoxy-6H-i...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1c(OC)ccc(OC)c31 Show InChI InChI=1S/C22H26N4O3/c1-5-25(6-2)12-11-23-14-7-8-15-20-18(14)22(27)19-16(28-3)9-10-17(29-4)21(19)26(20)13-24-15/h7-10,13,23H,5-6,11-12H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317139 (5-(2-(diethylamino)ethylamino)-7-hydroxy-10-methox...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1c(O)ccc(OC)c31 Show InChI InChI=1S/C21H24N4O3/c1-4-24(5-2)11-10-22-13-6-7-14-19-17(13)21(27)18-15(26)8-9-16(28-3)20(18)25(19)12-23-14/h6-9,12,22,26H,4-5,10-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50008352 (5-(2-(dimethylamino)ethylamino)-8-hydroxy-1-methyl...) Show SMILES CN(C)CCNc1ccc2nc(C)n3c2c1c(=O)c1cc(O)ccc31 Show InChI InChI=1S/C19H20N4O2/c1-11-21-15-6-5-14(20-8-9-22(2)3)17-18(15)23(11)16-7-4-12(24)10-13(16)19(17)25/h4-7,10,20,24H,8-9H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317137 (5-(2-(diethylamino)ethylamino)-10-methoxy-6H-imida...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cccc(OC)c31 Show InChI InChI=1S/C21H24N4O2/c1-4-24(5-2)12-11-22-15-9-10-16-20-18(15)21(26)14-7-6-8-17(27-3)19(14)25(20)13-23-16/h6-10,13,22H,4-5,11-12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50008347 (5-(2-(diethylamino)ethylamino)-8-hydroxy-6H-imidaz...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31 Show InChI InChI=1S/C20H22N4O2/c1-3-23(4-2)10-9-21-15-6-7-16-19-18(15)20(26)14-11-13(25)5-8-17(14)24(19)12-22-16/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317136 (5-(3-(dimethylamino)propylamino)-6H-imidazo[4,5,1-...) Show SMILES CN(C)CCCNc1ccc2ncn3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C19H20N4O/c1-22(2)11-5-10-20-14-8-9-15-18-17(14)19(24)13-6-3-4-7-16(13)23(18)12-21-15/h3-4,6-9,12,20H,5,10-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM83846 (5-(2-(dimethylamino)ethylamino)-8-hydroxy-6H-imida...) Show SMILES Cl.CN(C)CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31 Show InChI InChI=1S/C18H18N4O2.ClH/c1-21(2)8-7-19-13-4-5-14-17-16(13)18(24)12-9-11(23)3-6-15(12)22(17)10-20-14;/h3-6,9-10,19,23H,7-8H2,1-2H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317134 (5-(2-(dimethylamino)ethylamino)-1-methyl-6H-imidaz...) Show SMILES CN(C)CCNc1ccc2nc(C)n3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C19H20N4O/c1-12-21-15-9-8-14(20-10-11-22(2)3)17-18(15)23(12)16-7-5-4-6-13(16)19(17)24/h4-9,20H,10-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317132 (5-(2-(diethylamino)ethylamino)-6H-imidazo[4,5,1-de...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C20H22N4O/c1-3-23(4-2)12-11-21-15-9-10-16-19-18(15)20(25)14-7-5-6-8-17(14)24(19)13-22-16/h5-10,13,21H,3-4,11-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	427	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM97032 (MLS002701681 | NSC-637994 | SMR001565279 | cid_367...) Show SMILES Cl.CCN(CC)CCCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31 Show InChI InChI=1S/C21H24N4O2.ClH/c1-3-24(4-2)11-5-10-22-16-7-8-17-20-19(16)21(27)15-12-14(26)6-9-18(15)25(20)13-23-17;/h6-9,12-13,22,26H,3-5,10-11H2,1-2H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	597	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317135 (5-(2-(dimethylamino)ethylamino)-1-ethyl-6H-imidazo...) Show SMILES CCc1nc2ccc(NCCN(C)C)c3c2n1c1ccccc1c3=O Show InChI InChI=1S/C20H22N4O/c1-4-17-22-15-10-9-14(21-11-12-23(2)3)18-19(15)24(17)16-8-6-5-7-13(16)20(18)25/h5-10,21H,4,11-12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	693	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317133 (5-(2-(dimethylamino)ethylamino)-6H-imidazo[4,5,1-d...) Show SMILES CN(C)CCNc1ccc2ncn3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C18H18N4O/c1-21(2)10-9-19-13-7-8-14-17-16(13)18(23)12-5-3-4-6-15(12)22(17)11-20-14/h3-8,11,19H,9-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317131 (5-(2-(diethylamino)ethylamino)-9-hydroxy-6H-imidaz...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1ccc(O)cc31 Show InChI InChI=1S/C20H22N4O2/c1-3-23(4-2)10-9-21-15-7-8-16-19-18(15)20(26)14-6-5-13(25)11-17(14)24(19)12-22-16/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	953	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50008351 (5-(2-(diethylamino)ethylamino)-8-methoxy-6H-imidaz...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cc(OC)ccc31 Show InChI InChI=1S/C21H24N4O2/c1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(26)15-12-14(27-3)6-9-18(15)25(20)13-23-17/h6-9,12-13,22H,4-5,10-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair