Found 21 hits of Enzyme Inhibition Constant Data 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)) | BDBM50354527
(CHEMBL1836819)Show SMILES COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3ncn2c13 Show InChI InChI=1S/C19H20N4O3/c1-23(2,25)9-8-20-14-5-6-15-18-17(14)19(24)13-10-12(26-3)4-7-16(13)22(18)11-21-15/h4-7,10-11,20H,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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50354535
(CHEMBL1836822)Show SMILES C[N+](C)([O-])CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31 Show InChI InChI=1S/C18H18N4O3/c1-22(2,25)8-7-19-13-4-5-14-17-16(13)18(24)12-9-11(23)3-6-15(12)21(17)10-20-14/h3-6,9-10,19,23H,7-8H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50354530
(CHEMBL340884)Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3nc(C)n2c13 Show InChI InChI=1S/C20H22N4O2/c1-12-22-16-7-6-15(21-9-10-23(2)3)18-19(16)24(12)17-8-5-13(26-4)11-14(17)20(18)25/h5-8,11,21H,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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50354539
(CHEMBL1836826)Show SMILES Cc1nc2ccc(NCC[N+](C)(C)[O-])c3c2n1c1ccc(Br)cc1c3=O Show InChI InChI=1S/C19H19BrN4O2/c1-11-22-15-6-5-14(21-8-9-24(2,3)26)17-18(15)23(11)16-7-4-12(20)10-13(16)19(17)25/h4-7,10,21H,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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50354538
(CHEMBL1836825)Show SMILES Cc1nc2ccc(NCC[N+](C)(C)[O-])c3c2n1c1ccccc1c3=O Show InChI InChI=1S/C19H20N4O2/c1-12-21-15-9-8-14(20-10-11-23(2,3)25)17-18(15)22(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 | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50354528
(CHEMBL125750)Show InChI InChI=1S/C19H20N4O2/c1-22(2)9-8-20-14-5-6-15-18-17(14)19(24)13-10-12(25-3)4-7-16(13)23(18)11-21-15/h4-7,10-11,20H,8-9H2,1-3H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50354536
(CHEMBL1836823)Show SMILES COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3nc(C)n2c13 Show InChI InChI=1S/C20H22N4O3/c1-12-22-16-7-6-15(21-9-10-24(2,3)26)18-19(16)23(12)17-8-5-13(27-4)11-14(17)20(18)25/h5-8,11,21H,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 | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50354532
(CHEMBL1836818)Show SMILES CN(C)CCNc1ccc2nc(C)n3c2c1c(=O)c1cc(Br)ccc31 Show InChI InChI=1S/C19H19BrN4O/c1-11-22-15-6-5-14(21-8-9-23(2)3)17-18(15)24(11)16-7-4-12(20)10-13(16)19(17)25/h4-7,10,21H,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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50354531
(CHEMBL1836817)Show InChI InChI=1S/C19H19FN4O/c1-11-22-15-6-5-14(21-8-9-23(2)3)17-18(15)24(11)16-7-4-12(20)10-13(16)19(17)25/h4-7,10,21H,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 | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM83846
(5-(2-(dimethylamino)ethylamino)-8-hydroxy-6H-imida...)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 | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50317134
(5-(2-(dimethylamino)ethylamino)-1-methyl-6H-imidaz...)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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50008352
(5-(2-(dimethylamino)ethylamino)-8-hydroxy-1-methyl...)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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50354534
(CHEMBL1836821)Show SMILES C[N+](C)([O-])CCNc1ccc2ncn3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C18H18N4O2/c1-22(2,24)10-9-19-13-7-8-14-17-16(13)18(23)12-5-3-4-6-15(12)21(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
Similars
| Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50354537
(CHEMBL1836824)Show SMILES Cc1nc2ccc(NCC[N+](C)(C)[O-])c3c2n1c1ccc(F)cc1c3=O Show InChI InChI=1S/C19H19FN4O2/c1-11-22-15-6-5-14(21-8-9-24(2,3)26)17-18(15)23(11)16-7-4-12(20)10-13(16)19(17)25/h4-7,10,21H,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 | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50354529
(CHEMBL1836795)Show InChI InChI=1S/C18H17FN4O/c1-22(2)8-7-20-13-4-5-14-17-16(13)18(24)12-9-11(19)3-6-15(12)23(17)10-21-14/h3-6,9-10,20H,7-8H2,1-2H3 | 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 | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50354527
(CHEMBL1836819)Show SMILES COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3ncn2c13 Show InChI InChI=1S/C19H20N4O3/c1-23(2,25)9-8-20-14-5-6-15-18-17(14)19(24)13-10-12(26-3)4-7-16(13)22(18)11-21-15/h4-7,10-11,20H,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 | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry in the presence of 2 uM BSA |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
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 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 | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50008347
(5-(2-(diethylamino)ethylamino)-8-hydroxy-6H-imidaz...)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 | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50354533
(CHEMBL1836820)Show SMILES C[N+](C)([O-])CCNc1ccc2ncn3c2c1c(=O)c1cc(F)ccc31 Show InChI InChI=1S/C18H17FN4O2/c1-23(2,25)8-7-20-13-4-5-14-17-16(13)18(24)12-9-11(19)3-6-15(12)22(17)10-21-14/h3-6,9-10,20H,7-8H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 205 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | |
Ribosyldihydronicotinamide dehydrogenase [quinone]
(Homo sapiens (Human)) | BDBM50354528
(CHEMBL125750)Show InChI InChI=1S/C19H20N4O2/c1-22(2)9-8-20-14-5-6-15-18-17(14)19(24)13-10-12(25-3)4-7-16(13)23(18)11-21-15/h4-7,10-11,20H,8-9H2,1-3H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry in the presence of 2 uM BSA |
J Med Chem 54: 6597-611 (2011)
Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |