Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'volkova' and Initial = 'ms'   

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))	BDBM50402432 (CHEMBL2208058) Show SMILES CC(=O)NCCC1(O)C(=O)Nc2ccc(NC(C)=O)cc12 Show InChI InChI=1S/C14H17N3O4/c1-8(18)15-6-5-14(21)11-7-10(16-9(2)19)3-4-12(11)17-13(14)20/h3-4,7,21H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Moscow State University Curated by ChEMBL					Assay Description Binding affinity to quinine reductase 2 using MTT and NMeH as substrates				Bioorg Med Chem Lett 22: 7578-81 (2012) Article DOI: 10.1016/j.bmcl.2012.10.005 BindingDB Entry DOI: 10.7270/Q2K64K66
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50402432 (CHEMBL2208058) Show SMILES CC(=O)NCCC1(O)C(=O)Nc2ccc(NC(C)=O)cc12 Show InChI InChI=1S/C14H17N3O4/c1-8(18)15-6-5-14(21)11-7-10(16-9(2)19)3-4-12(11)17-13(14)20/h3-4,7,21H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates				Bioorg Med Chem Lett 27: 3787-3793 (2017) Article DOI: 10.1016/j.bmcl.2017.06.065 BindingDB Entry DOI: 10.7270/Q27D2XMX
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50269227 (CHEMBL4088981) Show SMILES CC(=O)NCCc1cn(C)c2c(C)c(C)ccc12 Show InChI InChI=1S/C15H20N2O/c1-10-5-6-14-13(7-8-16-12(3)18)9-17(4)15(14)11(10)2/h5-6,9H,7-8H2,1-4H3,(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates				Bioorg Med Chem Lett 27: 3787-3793 (2017) Article DOI: 10.1016/j.bmcl.2017.06.065 BindingDB Entry DOI: 10.7270/Q27D2XMX
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50269226 (CHEMBL4076136) Show SMILES COc1ccc2N(C)C(=O)C3(CC3CNC(C)=O)c2c1 Show InChI InChI=1S/C15H18N2O3/c1-9(18)16-8-10-7-15(10)12-6-11(20-3)4-5-13(12)17(2)14(15)19/h4-6,10H,7-8H2,1-3H3,(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates				Bioorg Med Chem Lett 27: 3787-3793 (2017) Article DOI: 10.1016/j.bmcl.2017.06.065 BindingDB Entry DOI: 10.7270/Q27D2XMX
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50066960 (CHEMBL33700 | N-(2-(5-methoxy-1-methyl-1H-indol-3-...) Show SMILES COc1ccc2n(C)cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-7-6-11-9-16(2)14-5-4-12(18-3)8-13(11)14/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)	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	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates				Bioorg Med Chem Lett 27: 3787-3793 (2017) Article DOI: 10.1016/j.bmcl.2017.06.065 BindingDB Entry DOI: 10.7270/Q27D2XMX
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	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	DrugBank MMDB PDB Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates				Bioorg Med Chem Lett 27: 3787-3793 (2017) Article DOI: 10.1016/j.bmcl.2017.06.065 BindingDB Entry DOI: 10.7270/Q27D2XMX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	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	DrugBank MMDB PDB Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Moscow State University Curated by ChEMBL					Assay Description Binding affinity to quinine reductase 2 using MTT and NMeH as substrates				Bioorg Med Chem Lett 22: 7578-81 (2012) Article DOI: 10.1016/j.bmcl.2012.10.005 BindingDB Entry DOI: 10.7270/Q2K64K66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50402433 (CHEMBL2208057) Show SMILES CN1C(=O)C(CC#N)c2cc(NC(C)=O)ccc12 Show InChI InChI=1S/C13H13N3O2/c1-8(17)15-9-3-4-12-11(7-9)10(5-6-14)13(18)16(12)2/h3-4,7,10H,5H2,1-2H3,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Moscow State University Curated by ChEMBL					Assay Description Binding affinity to quinine reductase 2 using MTT and NMeH as substrates				Bioorg Med Chem Lett 22: 7578-81 (2012) Article DOI: 10.1016/j.bmcl.2012.10.005 BindingDB Entry DOI: 10.7270/Q2K64K66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50402433 (CHEMBL2208057) Show SMILES CN1C(=O)C(CC#N)c2cc(NC(C)=O)ccc12 Show InChI InChI=1S/C13H13N3O2/c1-8(17)15-9-3-4-12-11(7-9)10(5-6-14)13(18)16(12)2/h3-4,7,10H,5H2,1-2H3,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates				Bioorg Med Chem Lett 27: 3787-3793 (2017) Article DOI: 10.1016/j.bmcl.2017.06.065 BindingDB Entry DOI: 10.7270/Q27D2XMX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	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	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Moscow State University Curated by ChEMBL					Assay Description Binding affinity to human recombinant quinine reductase 2 expressed in Escherichia coli BL21 (DE3) using menadione and NMeH as substrates				Bioorg Med Chem Lett 22: 7578-81 (2012) Article DOI: 10.1016/j.bmcl.2012.10.005 BindingDB Entry DOI: 10.7270/Q2K64K66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM85236 (Melatonin,2-Chloro) Show SMILES COc1ccc2[nH]c(Cl)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates				Bioorg Med Chem Lett 27: 3787-3793 (2017) Article DOI: 10.1016/j.bmcl.2017.06.065 BindingDB Entry DOI: 10.7270/Q27D2XMX
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50402435 (CHEMBL2208055) Show SMILES CC(=O)Nc1ccc2NC(=O)C(CC#N)c2c1 Show InChI InChI=1S/C12H11N3O2/c1-7(16)14-8-2-3-11-10(6-8)9(4-5-13)12(17)15-11/h2-3,6,9H,4H2,1H3,(H,14,16)(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Moscow State University Curated by ChEMBL					Assay Description Binding affinity to quinine reductase 2 using MTT and NMeH as substrates				Bioorg Med Chem Lett 22: 7578-81 (2012) Article DOI: 10.1016/j.bmcl.2012.10.005 BindingDB Entry DOI: 10.7270/Q2K64K66
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50402435 (CHEMBL2208055) Show SMILES CC(=O)Nc1ccc2NC(=O)C(CC#N)c2c1 Show InChI InChI=1S/C12H11N3O2/c1-7(16)14-8-2-3-11-10(6-8)9(4-5-13)12(17)15-11/h2-3,6,9H,4H2,1H3,(H,14,16)(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates				Bioorg Med Chem Lett 27: 3787-3793 (2017) Article DOI: 10.1016/j.bmcl.2017.06.065 BindingDB Entry DOI: 10.7270/Q27D2XMX
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50269229 (CHEMBL4091831) Show SMILES CC(=O)NCCC1C(=O)Nc2ccc(Br)cc12 Show InChI InChI=1S/C12H13BrN2O2/c1-7(16)14-5-4-9-10-6-8(13)2-3-11(10)15-12(9)17/h2-3,6,9H,4-5H2,1H3,(H,14,16)(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates				Bioorg Med Chem Lett 27: 3787-3793 (2017) Article DOI: 10.1016/j.bmcl.2017.06.065 BindingDB Entry DOI: 10.7270/Q27D2XMX
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50402434 (CHEMBL2208056) Show SMILES CC(=O)NCCC1C(=O)Nc2ccc(NC(C)=O)cc12 Show InChI InChI=1S/C14H17N3O3/c1-8(18)15-6-5-11-12-7-10(16-9(2)19)3-4-13(12)17-14(11)20/h3-4,7,11H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Moscow State University Curated by ChEMBL					Assay Description Binding affinity to quinine reductase 2 using MTT and NMeH as substrates				Bioorg Med Chem Lett 22: 7578-81 (2012) Article DOI: 10.1016/j.bmcl.2012.10.005 BindingDB Entry DOI: 10.7270/Q2K64K66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50402434 (CHEMBL2208056) Show SMILES CC(=O)NCCC1C(=O)Nc2ccc(NC(C)=O)cc12 Show InChI InChI=1S/C14H17N3O3/c1-8(18)15-6-5-11-12-7-10(16-9(2)19)3-4-13(12)17-14(11)20/h3-4,7,11H,5-6H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates				Bioorg Med Chem Lett 27: 3787-3793 (2017) Article DOI: 10.1016/j.bmcl.2017.06.065 BindingDB Entry DOI: 10.7270/Q27D2XMX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50269228 (CHEMBL4076015) Show SMILES COc1ccc2NC(=O)C3(C4CCC(C4)C3CNC(C)=O)c2c1 Show InChI InChI=1S/C18H22N2O3/c1-10(21)19-9-15-11-3-4-12(7-11)18(15)14-8-13(23-2)5-6-16(14)20-17(18)22/h5-6,8,11-12,15H,3-4,7,9H2,1-2H3,(H,19,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates				Bioorg Med Chem Lett 27: 3787-3793 (2017) Article DOI: 10.1016/j.bmcl.2017.06.065 BindingDB Entry DOI: 10.7270/Q27D2XMX
					More data for this Ligand-Target Pair