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PubMed code 20609415

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM81396
PNG
(GMX1778)
Show SMILES Clc1ccc(OCCCCCCNC(NC#N)=Nc2ccncc2)cc1
Show InChI InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
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n/an/a 0.0700n/an/an/an/an/an/a



Myriad Pharmaceuticals



Assay Description
In vitro inhibition assay using human nampt, NMN adenylytransferase (nmant1)and UDP-glucose dehdryogenase (ugdh) genes.


Chem Biol 17: 659-64 (2010)


Article DOI: 10.1016/j.chembiol.2010.05.008
BindingDB Entry DOI: 10.7270/Q2VT1QJW
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM81395
PNG
(APO-866)
Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1
Show InChI InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+
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n/an/a 0.140n/an/an/an/an/an/a



Myriad Pharmaceuticals



Assay Description
In vitro inhibition assay using human nampt, NMN adenylytransferase (nmant1)and UDP-glucose dehdryogenase (ugdh) genes.


Chem Biol 17: 659-64 (2010)


Article DOI: 10.1016/j.chembiol.2010.05.008
BindingDB Entry DOI: 10.7270/Q2VT1QJW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM81393
PNG
(MPI-0479883)
Show SMILES Cn1c(CN2CCN(CCN)CC2)nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O
Show InChI InChI=1S/C33H37ClN8O2/c1-3-12-42(27-8-6-25(7-9-27)32(43)37-21-24-5-4-11-36-20-24)22-26-18-28-30(19-29(26)34)38-31(39(2)33(28)44)23-41-16-14-40(13-10-35)15-17-41/h1,4-9,11,18-20H,10,12-17,21-23,35H2,2H3,(H,37,43)
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n/an/a 0.170n/an/an/an/an/an/a



Myriad Pharmaceuticals



Assay Description
In vitro inhibition assay using human nampt, NMN adenylytransferase (nmant1)and UDP-glucose dehdryogenase (ugdh) genes.


Chem Biol 17: 659-64 (2010)


Article DOI: 10.1016/j.chembiol.2010.05.008
BindingDB Entry DOI: 10.7270/Q2VT1QJW
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50117198
PNG
(4-{[7-Chloro-3-methyl-2-(4-methyl-piperazin-1-ylme...)
Show SMILES CN1CCN(Cc2nc3cc(Cl)c(CN(CC#C)c4ccc(cc4)C(=O)NCc4cccnc4)cc3c(=O)n2C)CC1
Show InChI InChI=1S/C32H34ClN7O2/c1-4-12-40(26-9-7-24(8-10-26)31(41)35-20-23-6-5-11-34-19-23)21-25-17-27-29(18-28(25)33)36-30(38(3)32(27)42)22-39-15-13-37(2)14-16-39/h1,5-11,17-19H,12-16,20-22H2,2-3H3,(H,35,41)
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n/an/a 0.230n/an/an/an/an/an/a



Myriad Pharmaceuticals



Assay Description
In vitro inhibition assay using human nampt, NMN adenylytransferase (nmant1)and UDP-glucose dehdryogenase (ugdh) genes.


Chem Biol 17: 659-64 (2010)


Article DOI: 10.1016/j.chembiol.2010.05.008
BindingDB Entry DOI: 10.7270/Q2VT1QJW
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM81394
PNG
(MPI-0482594)
Show SMILES Cn1c(CN2CCN(CCN)CC2)nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3ccccn3)cc2c1=O
Show InChI InChI=1S/C33H37ClN8O2/c1-3-13-42(27-9-7-24(8-10-27)32(43)37-21-26-6-4-5-12-36-26)22-25-19-28-30(20-29(25)34)38-31(39(2)33(28)44)23-41-17-15-40(14-11-35)16-18-41/h1,4-10,12,19-20H,11,13-18,21-23,35H2,2H3,(H,37,43)
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n/an/a 29n/an/an/an/an/an/a



Myriad Pharmaceuticals



Assay Description
In vitro inhibition assay using human nampt, NMN adenylytransferase (nmant1)and UDP-glucose dehdryogenase (ugdh) genes.


Chem Biol 17: 659-64 (2010)


Article DOI: 10.1016/j.chembiol.2010.05.008
BindingDB Entry DOI: 10.7270/Q2VT1QJW
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM81392
PNG
(MPI-0482593)
Show SMILES CN1CCN(Cc2nc3cc(Cl)c(CN(CC#C)c4ccc(cc4)C(=O)NCc4ccccn4)cc3c(=O)n2C)CC1
Show InChI InChI=1S/C32H34ClN7O2/c1-4-13-40(26-10-8-23(9-11-26)31(41)35-20-25-7-5-6-12-34-25)21-24-18-27-29(19-28(24)33)36-30(38(3)32(27)42)22-39-16-14-37(2)15-17-39/h1,5-12,18-19H,13-17,20-22H2,2-3H3,(H,35,41)
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n/an/a 74n/an/an/an/an/an/a



Myriad Pharmaceuticals



Assay Description
In vitro inhibition assay using human nampt, NMN adenylytransferase (nmant1)and UDP-glucose dehdryogenase (ugdh) genes.


Chem Biol 17: 659-64 (2010)


Article DOI: 10.1016/j.chembiol.2010.05.008
BindingDB Entry DOI: 10.7270/Q2VT1QJW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%