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PubMed code 24021463

Compile data set for download or QSAR
Found 37 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))
BDBM50011259
PNG
(CHEMBL3260362)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccc(nc1)N1CCOCC1)c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C23H22N6O4S/c30-23(18-11-17-14-27-28-22(17)25-13-18)26-12-16-1-3-19(4-2-16)34(31,32)20-5-6-21(24-15-20)29-7-9-33-10-8-29/h1-6,11,13-15H,7-10,12H2,(H,26,30)(H,25,27,28)
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n/an/a 4.5n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50438936
PNG
(CHEMBL2420629 | GNE-617)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1
Show InChI InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27)
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n/an/a 5n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011266
PNG
(CHEMBL3260358)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C21H15F3N4O3S/c22-21(23,24)16-2-1-3-18(9-16)32(30,31)17-6-4-13(5-7-17)10-26-20(29)15-8-14-12-27-28-19(14)25-11-15/h1-9,11-12H,10H2,(H,26,29)(H,25,27,28)
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n/an/a 6.10n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011267
PNG
(CHEMBL3260359)
Show SMILES FC(F)(F)Oc1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C21H15F3N4O4S/c22-21(23,24)32-16-2-1-3-18(9-16)33(30,31)17-6-4-13(5-7-17)10-26-20(29)15-8-14-12-27-28-19(14)25-11-15/h1-9,11-12H,10H2,(H,26,29)(H,25,27,28)
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n/an/a 7.70n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011268
PNG
(CHEMBL3260357)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C20H14F2N4O3S/c21-15-6-16(22)8-18(7-15)30(28,29)17-3-1-12(2-4-17)9-24-20(27)14-5-13-11-25-26-19(13)23-10-14/h1-8,10-11H,9H2,(H,24,27)(H,23,25,26)
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n/an/a 7.90n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011269
PNG
(CHEMBL3260364)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1)c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C23H17N5O3S/c29-23(18-9-17-13-27-28-22(17)25-12-18)26-11-15-5-7-19(8-6-15)32(30,31)20-10-16-3-1-2-4-21(16)24-14-20/h1-10,12-14H,11H2,(H,26,29)(H,25,27,28)
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n/an/a 8.20n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011272
PNG
(CHEMBL3260366)
Show SMILES CCCn1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C20H20N6O3S/c1-2-7-26-13-18(12-24-26)30(28,29)17-5-3-14(4-6-17)9-22-20(27)16-8-15-11-23-25-19(15)21-10-16/h3-6,8,10-13H,2,7,9H2,1H3,(H,22,27)(H,21,23,25)
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n/an/a 10n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011271
PNG
(CHEMBL3260360)
Show SMILES FC(F)(F)c1cncc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C20H14F3N5O3S/c21-20(22,23)15-6-17(11-24-10-15)32(30,31)16-3-1-12(2-4-16)7-26-19(29)14-5-13-9-27-28-18(13)25-8-14/h1-6,8-11H,7H2,(H,26,29)(H,25,27,28)
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n/an/a 10n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011273
PNG
(CHEMBL3260361)
Show SMILES Clc1cncc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C19H14ClN5O3S/c20-15-6-17(11-21-10-15)29(27,28)16-3-1-12(2-4-16)7-23-19(26)14-5-13-9-24-25-18(13)22-8-14/h1-6,8-11H,7H2,(H,23,26)(H,22,24,25)
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n/an/a 11n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011274
PNG
(CHEMBL3260363)
Show SMILES CN(C)c1ccc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C21H20N6O3S/c1-27(2)19-8-7-18(13-22-19)31(29,30)17-5-3-14(4-6-17)10-24-21(28)16-9-15-12-25-26-20(15)23-11-16/h3-9,11-13H,10H2,1-2H3,(H,24,28)(H,23,25,26)
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n/an/a 12n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50438966
PNG
(CHEMBL2420667)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccccc1)c1ccc2nccn2c1
Show InChI InChI=1S/C21H17N3O3S/c25-21(17-8-11-20-22-12-13-24(20)15-17)23-14-16-6-9-19(10-7-16)28(26,27)18-4-2-1-3-5-18/h1-13,15H,14H2,(H,23,25)
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n/an/a 18n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Rattus norvegicus)
BDBM50438936
PNG
(CHEMBL2420629 | GNE-617)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1
Show InChI InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27)
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n/an/a 23n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat NAMPT after 30 mins by mass spectrometry-based analysis


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50438936
PNG
(CHEMBL2420629 | GNE-617)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1
Show InChI InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27)
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n/an/a 24n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse NAMPT after 30 mins by mass spectrometry-based analysis


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50438967
PNG
(CHEMBL2420666)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1ccc2nccn2c1
Show InChI InChI=1S/C20H22N4O3S/c25-20(17-6-9-19-21-10-13-23(19)15-17)22-14-16-4-7-18(8-5-16)28(26,27)24-11-2-1-3-12-24/h4-10,13,15H,1-3,11-12,14H2,(H,22,25)
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n/an/a 28n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Rattus norvegicus)
BDBM50011266
PNG
(CHEMBL3260358)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C21H15F3N4O3S/c22-21(23,24)16-2-1-3-18(9-16)32(30,31)17-6-4-13(5-7-17)10-26-20(29)15-8-14-12-27-28-19(14)25-11-15/h1-9,11-12H,10H2,(H,26,29)(H,25,27,28)
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n/an/a 35n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat NAMPT after 30 mins by mass spectrometry-based analysis


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011275
PNG
(CHEMBL3260347)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccccc1)c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C20H16N4O3S/c25-20(16-10-15-13-23-24-19(15)21-12-16)22-11-14-6-8-18(9-7-14)28(26,27)17-4-2-1-3-5-17/h1-10,12-13H,11H2,(H,22,25)(H,21,23,24)
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n/an/a 54n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50011266
PNG
(CHEMBL3260358)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C21H15F3N4O3S/c22-21(23,24)16-2-1-3-18(9-16)32(30,31)17-6-4-13(5-7-17)10-26-20(29)15-8-14-12-27-28-19(14)25-11-15/h1-9,11-12H,10H2,(H,26,29)(H,25,27,28)
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n/an/a 59n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse NAMPT after 30 mins by mass spectrometry-based analysis


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011276
PNG
(CHEMBL3260367)
Show SMILES CC(C)n1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C20H20N6O3S/c1-13(2)26-12-18(11-24-26)30(28,29)17-5-3-14(4-6-17)8-22-20(27)16-7-15-10-23-25-19(15)21-9-16/h3-7,9-13H,8H2,1-2H3,(H,22,27)(H,21,23,25)
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n/an/a 99n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011277
PNG
(CHEMBL3260346)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C19H21N5O3S/c25-19(16-10-15-13-22-23-18(15)20-12-16)21-11-14-4-6-17(7-5-14)28(26,27)24-8-2-1-3-9-24/h4-7,10,12-13H,1-3,8-9,11H2,(H,21,25)(H,20,22,23)
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n/an/a 100n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011278
PNG
(CHEMBL3260356 | US10696692, Example 269)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CC2(C1)CCOCC2)c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C21H23N5O4S/c27-20(17-9-16-12-24-25-19(16)22-11-17)23-10-15-1-3-18(4-2-15)31(28,29)26-13-21(14-26)5-7-30-8-6-21/h1-4,9,11-12H,5-8,10,13-14H2,(H,23,27)(H,22,24,25)
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n/an/a 110n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011279
PNG
(CHEMBL3260365)
Show SMILES CCn1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C19H18N6O3S/c1-2-25-12-17(11-23-25)29(27,28)16-5-3-13(4-6-16)8-21-19(26)15-7-14-10-22-24-18(14)20-9-15/h3-7,9-12H,2,8H2,1H3,(H,21,26)(H,20,22,24)
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n/an/a 190n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011280
PNG
(CHEMBL3260353 | US10696692, Example 156)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CCC(CC1)N1CCCC1)c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C23H28N6O3S/c30-23(19-13-18-16-26-27-22(18)24-15-19)25-14-17-3-5-21(6-4-17)33(31,32)29-11-7-20(8-12-29)28-9-1-2-10-28/h3-6,13,15-16,20H,1-2,7-12,14H2,(H,25,30)(H,24,26,27)
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n/an/a 300n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011281
PNG
(CHEMBL3260355 | US10696692, Example 9)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C18H19N5O4S/c24-18(15-9-14-12-21-22-17(14)19-11-15)20-10-13-1-3-16(4-2-13)28(25,26)23-5-7-27-8-6-23/h1-4,9,11-12H,5-8,10H2,(H,20,24)(H,19,21,22)
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n/an/a 370n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011282
PNG
(CHEMBL3259825)
Show SMILES NC1CCN(CC1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C19H22N6O3S/c20-16-5-7-25(8-6-16)29(27,28)17-3-1-13(2-4-17)10-22-19(26)15-9-14-12-23-24-18(14)21-11-15/h1-4,9,11-12,16H,5-8,10,20H2,(H,22,26)(H,21,23,24)
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n/an/a 390n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011283
PNG
(CHEMBL3260351)
Show SMILES COC1CCN(CC1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C20H23N5O4S/c1-29-17-6-8-25(9-7-17)30(27,28)18-4-2-14(3-5-18)11-22-20(26)16-10-15-13-23-24-19(15)21-12-16/h2-5,10,12-13,17H,6-9,11H2,1H3,(H,22,26)(H,21,23,24)
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n/an/a 400n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011284
PNG
(CHEMBL3260350)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C#N)c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C20H20N6O3S/c21-10-14-5-7-26(8-6-14)30(28,29)18-3-1-15(2-4-18)11-23-20(27)17-9-16-13-24-25-19(16)22-12-17/h1-4,9,12-14H,5-8,11H2,(H,23,27)(H,22,24,25)
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n/an/a 410n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011285
PNG
(CHEMBL3260352 | US10696692, Example 30)
Show SMILES OC1CCN(CC1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C19H21N5O4S/c25-16-5-7-24(8-6-16)29(27,28)17-3-1-13(2-4-17)10-21-19(26)15-9-14-12-22-23-18(14)20-11-15/h1-4,9,11-12,16,25H,5-8,10H2,(H,21,26)(H,20,22,23)
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n/an/a 410n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011286
PNG
(CHEMBL3260354 | US10696692, Example 117)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1COC1)c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C21H24N6O4S/c28-21(17-9-16-12-24-25-20(16)22-11-17)23-10-15-1-3-19(4-2-15)32(29,30)27-7-5-26(6-8-27)18-13-31-14-18/h1-4,9,11-12,18H,5-8,10,13-14H2,(H,23,28)(H,22,24,25)
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n/an/a 440n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011287
PNG
(CHEMBL3260344)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccccc1)c1ccc2[nH]ncc2n1
Show InChI InChI=1S/C20H16N4O3S/c25-20(18-11-10-17-19(23-18)13-22-24-17)21-12-14-6-8-16(9-7-14)28(26,27)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,21,25)(H,22,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011288
PNG
(CHEMBL3260348)
Show SMILES Cn1ncc2cc(cnc12)C(=O)NCc1ccc(cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H18N4O3S/c1-25-20-16(14-24-25)11-17(13-22-20)21(26)23-12-15-7-9-19(10-8-15)29(27,28)18-5-3-2-4-6-18/h2-11,13-14H,12H2,1H3,(H,23,26)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011289
PNG
(CHEMBL3260349)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccccc1)c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C21H17N3O3S/c25-21(17-12-16-10-11-22-20(16)23-14-17)24-13-15-6-8-19(9-7-15)28(26,27)18-4-2-1-3-5-18/h1-12,14H,13H2,(H,22,23)(H,24,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011290
PNG
(CHEMBL3260343)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C20H22N4O3S/c25-20(16-6-9-19-17(12-16)14-22-23-19)21-13-15-4-7-18(8-5-15)28(26,27)24-10-2-1-3-11-24/h4-9,12,14H,1-3,10-11,13H2,(H,21,25)(H,22,23)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011291
PNG
(CHEMBL3260345)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccccc1)c1cc2cn[nH]c2cn1
Show InChI InChI=1S/C20H16N4O3S/c25-20(18-10-15-12-23-24-19(15)13-21-18)22-11-14-6-8-17(9-7-14)28(26,27)16-4-2-1-3-5-16/h1-10,12-13H,11H2,(H,22,25)(H,23,24)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal...


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50438936
PNG
(CHEMBL2420629 | GNE-617)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1
Show InChI InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27)
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n/an/an/an/a 1.10n/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human PC3 cells assessed as reduction in NAD level after 48 hrs by mass spectrometry


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50438936
PNG
(CHEMBL2420629 | GNE-617)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1
Show InChI InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27)
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n/an/an/an/a 1.30n/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in mouse cells assessed as reduction in NAD level after 48 hrs by mass spectrometry


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011266
PNG
(CHEMBL3260358)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C21H15F3N4O3S/c22-21(23,24)16-2-1-3-18(9-16)32(30,31)17-6-4-13(5-7-17)10-26-20(29)15-8-14-12-27-28-19(14)25-11-15/h1-9,11-12H,10H2,(H,26,29)(H,25,27,28)
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n/an/an/an/a 1.20n/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human PC3 cells assessed as reduction in NAD level after 48 hrs by mass spectrometry


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50011266
PNG
(CHEMBL3260358)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C21H15F3N4O3S/c22-21(23,24)16-2-1-3-18(9-16)32(30,31)17-6-4-13(5-7-17)10-26-20(29)15-8-14-12-27-28-19(14)25-11-15/h1-9,11-12H,10H2,(H,26,29)(H,25,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 70n/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in mouse cells assessed as reduction in NAD level after 48 hrs by mass spectrometry


Bioorg Med Chem Lett 23: 5488-97 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.074
BindingDB Entry DOI: 10.7270/Q2DF6SQ1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%