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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'NAD(P)H dehydrogenase [quinone] 1' and Ligand = 'BDBM381910'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381910
PNG
(US10272095, Example 72 | US10272095, Example 85 | ...)
Show SMILES CC[C@@H]1CN(Cc2cnccc2O1)[C@H]1CCc2ccc(cc12)[C@@H](c1ccc2n(C)nnc2c1C)C(C)(C)C(O)=O |r|
Show InChI InChI=1S/C32H37N5O3/c1-6-23-18-37(17-22-16-33-14-13-28(22)40-23)26-11-9-20-7-8-21(15-25(20)26)29(32(3,4)31(38)39)24-10-12-27-30(19(24)2)34-35-36(27)5/h7-8,10,12-16,23,26,29H,6,9,11,17-18H2,1-5H3,(H,38,39)/t23-,26+,29+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 55n/an/an/an/a



TargeGen Inc.



Assay Description
NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...


J Med Chem 50: 4279-94 (2007)


BindingDB Entry DOI: 10.7270/Q2SN0C8F
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381910
PNG
(US10272095, Example 72 | US10272095, Example 85 | ...)
Show SMILES CC[C@@H]1CN(Cc2cnccc2O1)[C@H]1CCc2ccc(cc12)[C@@H](c1ccc2n(C)nnc2c1C)C(C)(C)C(O)=O |r|
Show InChI InChI=1S/C32H37N5O3/c1-6-23-18-37(17-22-16-33-14-13-28(22)40-23)26-11-9-20-7-8-21(15-25(20)26)29(32(3,4)31(38)39)24-10-12-27-30(19(24)2)34-35-36(27)5/h7-8,10,12-16,23,26,29H,6,9,11,17-18H2,1-5H3,(H,38,39)/t23-,26+,29+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.5n/an/an/an/a



TargeGen Inc.



Assay Description
NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...


J Med Chem 50: 4279-94 (2007)


BindingDB Entry DOI: 10.7270/Q2SN0C8F
More data for this
Ligand-Target Pair