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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 3232   
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
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM23926
PNG
((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+
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KEGG

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CHEMBL
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 960n/an/an/an/a8.025



University of Illinois at Chicago



Assay Description
The activity of recombinant human QR2 under steady-state conditions was evaluated on a MolecularDevices SpectraMax Plus 384 UV-visible spectrophotome...


Biochem J 413: 81-91 (2008)


Article DOI: 10.1042/BJ20071373
BindingDB Entry DOI: 10.7270/Q2Z036G6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM29611
PNG
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15IN2O2/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)
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
n/an/a 1.10E+3n/an/an/an/a8.025



University of Illinois at Chicago



Assay Description
The activity of recombinant human QR2 under steady-state conditions was evaluated on a MolecularDevices SpectraMax Plus 384 UV-visible spectrophotome...


Biochem J 413: 81-91 (2008)


Article DOI: 10.1042/BJ20071373
BindingDB Entry DOI: 10.7270/Q2Z036G6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM29612
PNG
(CHEMBL33103 | N-ACETYL SEROTONIN | N-Acetyl-5-hydr...)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
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KEGG

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CHEMBL
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 9.90E+3n/an/an/an/a8.025



University of Illinois at Chicago



Assay Description
The activity of recombinant human QR2 under steady-state conditions was evaluated on a MolecularDevices SpectraMax Plus 384 UV-visible spectrophotome...


Biochem J 413: 81-91 (2008)


Article DOI: 10.1042/BJ20071373
BindingDB Entry DOI: 10.7270/Q2Z036G6
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM9019
PNG
(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)
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KEGG

UniProtKB/SwissProt

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CHEMBL
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KEGG
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PC cid
PC sid
PDB
UniChem

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DrugBank
PDB
Article
PubMed
n/an/a 1.13E+4n/an/an/an/a8.025



University of Illinois at Chicago



Assay Description
The activity of recombinant human QR2 under steady-state conditions was evaluated on a MolecularDevices SpectraMax Plus 384 UV-visible spectrophotome...


Biochem J 413: 81-91 (2008)


Article DOI: 10.1042/BJ20071373
BindingDB Entry DOI: 10.7270/Q2Z036G6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 5.39E+4n/an/an/an/a8.025



University of Illinois at Chicago



Assay Description
The activity of recombinant human QR2 under steady-state conditions was evaluated on a MolecularDevices SpectraMax Plus 384 UV-visible spectrophotome...


Biochem J 413: 81-91 (2008)


Article DOI: 10.1042/BJ20071373
BindingDB Entry DOI: 10.7270/Q2Z036G6
More data for this
Ligand-Target Pair