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Compile Data Set for Download or QSAR

Found 2723 hits Enz. Inhib. hit(s) with Target = 'Nicotinamide phosphoribosyltransferase'   
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))
BDBM50448644
PNG
(CHEMBL3127513)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1COC1)c1cc2ccncc2o1
Show InChI InChI=1S/C22H24N4O5S/c27-22(20-11-17-5-6-23-13-21(17)31-20)24-12-16-1-3-19(4-2-16)32(28,29)26-9-7-25(8-10-26)18-14-30-15-18/h1-6,11,13,18H,7-10,12,14-15H2,(H,24,27)
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n/an/an/a 80n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to NAMPT (2 to 491) (unknown origin) by surface plasmon resonance analysis


J Med Chem 57: 770-92 (2014)


Article DOI: 10.1021/jm4015108
BindingDB Entry DOI: 10.7270/Q2BC412B
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50448645
PNG
(CHEMBL3127512)
Show SMILES O=C(NCCCCS(=O)(=O)c1ccccc1)c1ccc2nccn2c1
Show InChI InChI=1S/C18H19N3O3S/c22-18(15-8-9-17-19-11-12-21(17)14-15)20-10-4-5-13-25(23,24)16-6-2-1-3-7-16/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,20,22)
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n/an/an/a 860n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to NAMPT (2 to 491) (unknown origin) by surface plasmon resonance analysis


J Med Chem 57: 770-92 (2014)


Article DOI: 10.1021/jm4015108
BindingDB Entry DOI: 10.7270/Q2BC412B
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447577
PNG
(CHEMBL1494030)
Show SMILES Cn1nccc1C(=O)Nc1cccnc1
Show InChI InChI=1S/C10H10N4O/c1-14-9(4-6-12-14)10(15)13-8-3-2-5-11-7-8/h2-7H,1H3,(H,13,15)
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n/an/an/a 5.20E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM51526
PNG
(6-[(dimethylamino)methyl]-4-ethyl-7-hydroxy-8-meth...)
Show SMILES CCc1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12
Show InChI InChI=1S/C15H19NO3/c1-5-10-7-13(17)19-15-9(2)14(18)11(6-12(10)15)8-16(3)4/h6-7,18H,5,8H2,1-4H3
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n/an/an/a 1.20E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447569
PNG
(CHEMBL3112697)
Show SMILES Cc1ccoc1C(=O)Nc1cccnc1
Show InChI InChI=1S/C11H10N2O2/c1-8-4-6-15-10(8)11(14)13-9-3-2-5-12-7-9/h2-7H,1H3,(H,13,14)
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n/an/an/a 1.30E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50448640
PNG
(CHEMBL3127519)
Show SMILES O=C(Nc1ccncc1)[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C15H14N2O/c18-15(17-12-6-8-16-9-7-12)14-10-13(14)11-4-2-1-3-5-11/h1-9,13-14H,10H2,(H,16,17,18)/t13-,14+/m0/s1
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n/an/an/a 1.70E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to NAMPT (2 to 491) (unknown origin) by surface plasmon resonance analysis


J Med Chem 57: 770-92 (2014)


Article DOI: 10.1021/jm4015108
BindingDB Entry DOI: 10.7270/Q2BC412B
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447570
PNG
(CHEMBL3112696)
Show SMILES Cc1ncsc1C(=O)Nc1cccnc1
Show InChI InChI=1S/C10H9N3OS/c1-7-9(15-6-12-7)10(14)13-8-3-2-4-11-5-8/h2-6H,1H3,(H,13,14)
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n/an/an/a 2.00E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447574
PNG
(CHEMBL3112692)
Show SMILES Cc1sccc1C(=O)Nc1cccnc1
Show InChI InChI=1S/C11H10N2OS/c1-8-10(4-6-15-8)11(14)13-9-3-2-5-12-7-9/h2-7H,1H3,(H,13,14)
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n/an/an/a 3.60E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50439681
PNG
(CHEMBL2417797)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n+]1cccc(\C=C\C(=O)NCCCCC2CCN(CC2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C29H37N3O6/c33-20-24-26(35)27(36)29(38-24)32-16-6-8-22(19-32)11-12-25(34)30-15-5-4-7-21-13-17-31(18-14-21)28(37)23-9-2-1-3-10-23/h1-3,6,8-12,16,19,21,24,26-27,29,33,35-36H,4-5,7,13-15,17-18,20H2/p+1/b12-11+/t24-,26-,27-,29-/m1/s1
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n/an/an/a 4.50E+4n/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Binding affinity to NAMPT (unknown origin)


J Med Chem 56: 6279-96 (2013)


Article DOI: 10.1021/jm4001049
BindingDB Entry DOI: 10.7270/Q25Q4XJ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50448646
PNG
(CHEMBL3127517)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)C2CC2)cc1
Show InChI InChI=1S/C10H10N2O3/c13-10(7-1-2-7)11-8-3-5-9(6-4-8)12(14)15/h3-7H,1-2H2,(H,11,13)
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n/an/an/a 5.10E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to NAMPT (2 to 491) (unknown origin) by surface plasmon resonance analysis


J Med Chem 57: 770-92 (2014)


Article DOI: 10.1021/jm4015108
BindingDB Entry DOI: 10.7270/Q2BC412B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447573
PNG
(CHEMBL3112693)
Show SMILES Cc1scnc1C(=O)Nc1cccnc1
Show InChI InChI=1S/C10H9N3OS/c1-7-9(12-6-15-7)10(14)13-8-3-2-4-11-5-8/h2-6H,1H3,(H,13,14)
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n/an/an/a 5.50E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447564
PNG
(CHEMBL3112702)
Show SMILES Cc1nn(C)cc1C(=O)Nc1cccnc1
Show InChI InChI=1S/C11H12N4O/c1-8-10(7-15(2)14-8)11(16)13-9-4-3-5-12-6-9/h3-7H,1-2H3,(H,13,16)
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n/an/an/a 5.90E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447572
PNG
(CHEMBL3112694)
Show SMILES Cc1ocnc1C(=O)Nc1cccnc1
Show InChI InChI=1S/C10H9N3O2/c1-7-9(12-6-15-7)10(14)13-8-3-2-4-11-5-8/h2-6H,1H3,(H,13,14)
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n/an/an/a 6.10E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50448647
PNG
(CHEMBL3127516)
Show SMILES CC(=O)Nc1ccc(NC(=O)C2CC2)cc1
Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-10-4-6-11(7-5-10)14-12(16)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,13,15)(H,14,16)
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n/an/an/a 7.80E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to NAMPT (2 to 491) (unknown origin) by surface plasmon resonance analysis


J Med Chem 57: 770-92 (2014)


Article DOI: 10.1021/jm4015108
BindingDB Entry DOI: 10.7270/Q2BC412B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50208881
PNG
(5-Nitro-1H-benzoimidazole | 5-nitrobenzimidazole |...)
Show SMILES [O-][N+](=O)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
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n/an/an/a 1.26E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447571
PNG
(CHEMBL3112695)
Show SMILES Cc1ccsc1C(=O)Nc1cccnc1
Show InChI InChI=1S/C11H10N2OS/c1-8-4-6-15-10(8)11(14)13-9-3-2-5-12-7-9/h2-7H,1H3,(H,13,14)
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n/an/an/a 1.29E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447575
PNG
(CHEMBL3112691)
Show SMILES Cn1ccnc1C(=O)Nc1cccnc1
Show InChI InChI=1S/C10H10N4O/c1-14-6-5-12-9(14)10(15)13-8-3-2-4-11-7-8/h2-7H,1H3,(H,13,15)
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n/an/an/a 1.29E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447576
PNG
(CHEMBL3116433)
Show SMILES O=C(Nc1cccnc1)c1ccn[nH]1
Show InChI InChI=1S/C9H8N4O/c14-9(8-3-5-11-13-8)12-7-2-1-4-10-6-7/h1-6H,(H,11,13)(H,12,14)
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n/an/an/a 1.76E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447566
PNG
(CHEMBL3112700)
Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C16H14N4O/c1-12-15(16(21)19-13-6-5-9-17-10-13)11-18-20(12)14-7-3-2-4-8-14/h2-11H,1H3,(H,19,21)
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n/an/an/a 1.77E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM86248
PNG
(CAS_364-98-7 | DIAZOXIDE | NSC_3019 | diazoxide)
Show SMILES CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1
Show InChI InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
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n/an/an/a 2.30E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to NAMPT (2 to 491) (unknown origin) by surface plasmon resonance analysis


J Med Chem 57: 770-92 (2014)


Article DOI: 10.1021/jm4015108
BindingDB Entry DOI: 10.7270/Q2BC412B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447563
PNG
(CHEMBL3112703)
Show SMILES CCn1cc(C(=O)Nc2cccnc2)c(C)n1
Show InChI InChI=1S/C12H14N4O/c1-3-16-8-11(9(2)15-16)12(17)14-10-5-4-6-13-7-10/h4-8H,3H2,1-2H3,(H,14,17)
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n/an/an/a 2.33E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447568
PNG
(CHEMBL3112698)
Show SMILES Cc1ccc(C(=O)Nc2cccnc2)n1C
Show InChI InChI=1S/C12H13N3O/c1-9-5-6-11(15(9)2)12(16)14-10-4-3-7-13-8-10/h3-8H,1-2H3,(H,14,16)
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n/an/an/a 2.34E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447562
PNG
(CHEMBL3112704)
Show SMILES CCc1cc(C(=O)Nc2cccnc2)n(C)n1
Show InChI InChI=1S/C12H14N4O/c1-3-9-7-11(16(2)15-9)12(17)14-10-5-4-6-13-8-10/h4-8H,3H2,1-2H3,(H,14,17)
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n/an/an/a 4.81E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447565
PNG
(CHEMBL3112701)
Show SMILES Cc1ncc(C(=O)Nc2cccnc2)n1C
Show InChI InChI=1S/C11H12N4O/c1-8-13-7-10(15(8)2)11(16)14-9-4-3-5-12-6-9/h3-7H,1-2H3,(H,14,16)
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n/an/an/a>5.00E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50447567
PNG
(CHEMBL3112699)
Show SMILES CCn1ncc(C(=O)Nc2cccnc2)c1C
Show InChI InChI=1S/C12H14N4O/c1-3-16-9(2)11(8-14-16)12(17)15-10-5-4-6-13-7-10/h4-8H,3H2,1-2H3,(H,15,17)
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n/an/an/a>5.00E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis


Bioorg Med Chem Lett 24: 954-62 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.062
BindingDB Entry DOI: 10.7270/Q2RV0Q50
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50448641
PNG
(CHEMBL3127518)
Show SMILES O=C(Nc1ccncc1)C1CC1
Show InChI InChI=1S/C9H10N2O/c12-9(7-1-2-7)11-8-3-5-10-6-4-8/h3-7H,1-2H2,(H,10,11,12)
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n/an/an/a>5.00E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to NAMPT (2 to 491) (unknown origin) by surface plasmon resonance analysis


J Med Chem 57: 770-92 (2014)


Article DOI: 10.1021/jm4015108
BindingDB Entry DOI: 10.7270/Q2BC412B
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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0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of NAMPT (unknown origin)


J Med Chem 56: 6279-96 (2013)


Article DOI: 10.1021/jm4001049
BindingDB Entry DOI: 10.7270/Q25Q4XJ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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
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))
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))
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))
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))
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



Genentech, Inc. 1 DNA Way, South San Francisco, California 94080 (USA).



Assay Description
The reaction was carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well plates. NAMPT protein was added to 1 B...


Chembiochem 15: 1121-30 (2014)


Article DOI: 10.1002/cbic.201402023
BindingDB Entry DOI: 10.7270/Q2X065QR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM112625
PNG
(GNE-643)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccn3ccnc3c2)cc1
Show InChI InChI=1S/C21H15F2N3O3S/c22-16-10-17(23)12-19(11-16)30(28,29)18-3-1-14(2-4-18)13-25-21(27)15-5-7-26-8-6-24-20(26)9-15/h1-12H,13H2,(H,25,27)
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n/an/a 10n/an/an/an/an/an/a



Genentech, Inc. 1 DNA Way, South San Francisco, California 94080 (USA).



Assay Description
The reaction was carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well plates. NAMPT protein was added to 1 B...


Chembiochem 15: 1121-30 (2014)


Article DOI: 10.1002/cbic.201402023
BindingDB Entry DOI: 10.7270/Q2X065QR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM112626
PNG
(GNE-200)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccc3cccn3c2)cc1
Show InChI InChI=1S/C22H16F2N2O3S/c23-17-10-18(24)12-21(11-17)30(28,29)20-7-3-15(4-8-20)13-25-22(27)16-5-6-19-2-1-9-26(19)14-16/h1-12,14H,13H2,(H,25,27)
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n/an/a 57n/an/an/an/an/an/a



Genentech, Inc. 1 DNA Way, South San Francisco, California 94080 (USA).



Assay Description
The reaction was carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well plates. NAMPT protein was added to 1 B...


Chembiochem 15: 1121-30 (2014)


Article DOI: 10.1002/cbic.201402023
BindingDB Entry DOI: 10.7270/Q2X065QR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM112627
PNG
(GNE-201)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccn3cccc3c2)cc1
Show InChI InChI=1S/C22H16F2N2O3S/c23-17-11-18(24)13-21(12-17)30(28,29)20-5-3-15(4-6-20)14-25-22(27)16-7-9-26-8-1-2-19(26)10-16/h1-13H,14H2,(H,25,27)
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n/an/a 78n/an/an/an/an/an/a



Genentech, Inc. 1 DNA Way, South San Francisco, California 94080 (USA).



Assay Description
The reaction was carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well plates. NAMPT protein was added to 1 B...


Chembiochem 15: 1121-30 (2014)


Article DOI: 10.1002/cbic.201402023
BindingDB Entry DOI: 10.7270/Q2X065QR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 2n/an/an/an/an/an/a



Genentech, Inc. 1 DNA Way, South San Francisco, California 94080 (USA).



Assay Description
The reaction was carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well plates. NAMPT protein was added to 1 B...


Chembiochem 15: 1121-30 (2014)


Article DOI: 10.1002/cbic.201402023
BindingDB Entry DOI: 10.7270/Q2X065QR
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM60806
PNG
(US9169209, Table 3, Compound 3)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CC2CCC(C1)O2)\C=C\c1cccnc1
Show InChI InChI=1S/C20H21N3O4S/c24-20(10-3-15-2-1-11-21-12-15)22-16-4-8-19(9-5-16)28(25,26)23-13-17-6-7-18(14-23)27-17/h1-5,8-12,17-18H,6-7,13-14H2,(H,22,24)/b10-3+
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US Patent
n/an/a 3n/an/an/an/an/an/a



FORMA TM, LLC

US Patent


Assay Description
The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The...


US Patent US9169209 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JH9
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM187025
PNG
(US9169209, Table 3, Compound 58)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)c1cccc2Sc3ccccc3Oc12)\C=C\c1cccnc1
Show InChI InChI=1S/C26H18N2O4S2/c29-25(15-10-18-5-4-16-27-17-18)28-19-11-13-20(14-12-19)34(30,31)24-9-3-8-23-26(24)32-21-6-1-2-7-22(21)33-23/h1-17H,(H,28,29)/b15-10+
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n/an/a 7.20n/an/an/an/an/an/a



FORMA TM, LLC

US Patent


Assay Description
The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The...


US Patent US9169209 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JH9
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM187026
PNG
(US9169209, Table 3, Compound 59)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccccc1)\C=C\c1cccnc1
Show InChI InChI=1S/C21H18N2O3S/c24-21(13-10-17-5-4-14-22-15-17)23-16-18-8-11-20(12-9-18)27(25,26)19-6-2-1-3-7-19/h1-15H,16H2,(H,23,24)/b13-10+
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US Patent
n/an/a 3n/an/an/an/an/an/a



FORMA TM, LLC

US Patent


Assay Description
The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The...


US Patent US9169209 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JH9
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM187027
PNG
(US9169209, Table 3, Compound 60)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)c1ccc(NC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C20H14Cl2N2O3S/c21-15-4-9-18(22)19(12-15)28(26,27)17-7-5-16(6-8-17)24-20(25)10-3-14-2-1-11-23-13-14/h1-13H,(H,24,25)/b10-3+
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n/an/a 22.4n/an/an/an/an/an/a



FORMA TM, LLC

US Patent


Assay Description
The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The...


US Patent US9169209 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JH9
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM187028
PNG
(US9169209, Table 3, Compound 61)
Show SMILES COc1ccc(C)cc1S(=O)(=O)c1ccc(NC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H20N2O4S/c1-16-5-11-20(28-2)21(14-16)29(26,27)19-9-7-18(8-10-19)24-22(25)12-6-17-4-3-13-23-15-17/h3-15H,1-2H3,(H,24,25)/b12-6+
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n/an/a 1.80n/an/an/an/an/an/a



FORMA TM, LLC

US Patent


Assay Description
The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The...


US Patent US9169209 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JH9
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM187029
PNG
(US9169209, Table 3, Compound 62)
Show SMILES COc1ccccc1S(=O)(=O)c1ccc(NC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C21H18N2O4S/c1-27-19-6-2-3-7-20(19)28(25,26)18-11-9-17(10-12-18)23-21(24)13-8-16-5-4-14-22-15-16/h2-15H,1H3,(H,23,24)/b13-8+
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n/an/a 7.70n/an/an/an/an/an/a



FORMA TM, LLC

US Patent


Assay Description
The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The...


US Patent US9169209 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JH9
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM187030
PNG
(US9169209, Table 3, Compound 63)
Show SMILES Cc1ccccc1S(=O)(=O)c1ccc(NC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C21H18N2O3S/c1-16-5-2-3-7-20(16)27(25,26)19-11-9-18(10-12-19)23-21(24)13-8-17-6-4-14-22-15-17/h2-15H,1H3,(H,23,24)/b13-8+
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n/an/a 33.3n/an/an/an/an/an/a



FORMA TM, LLC

US Patent


Assay Description
The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The...


US Patent US9169209 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JH9
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM187031
PNG
(US9169209, Table 3, Compound 64)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)c1ccc(NC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C20H14Cl2N2O3S/c21-18-9-8-17(12-19(18)22)28(26,27)16-6-4-15(5-7-16)24-20(25)10-3-14-2-1-11-23-13-14/h1-13H,(H,24,25)/b10-3+
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n/an/a 72.9n/an/an/an/an/an/a



FORMA TM, LLC

US Patent


Assay Description
The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The...


US Patent US9169209 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JH9
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM187032
PNG
(US9169209, Table 3, Compound 65)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)c1ccc(NC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H20N2O5S/c1-28-20-11-10-19(14-21(20)29-2)30(26,27)18-8-6-17(7-9-18)24-22(25)12-5-16-4-3-13-23-15-16/h3-15H,1-2H3,(H,24,25)/b12-5+
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n/an/a 2.5n/an/an/an/an/an/a



FORMA TM, LLC

US Patent


Assay Description
The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The...


US Patent US9169209 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JH9
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM187033
PNG
(US9169209, Table 3, Compound 66)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)c1ccc(NC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C20H14Cl2N2O3S/c21-15-10-16(22)12-19(11-15)28(26,27)18-6-4-17(5-7-18)24-20(25)8-3-14-2-1-9-23-13-14/h1-13H,(H,24,25)/b8-3+
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n/an/a 50.5n/an/an/an/an/an/a



FORMA TM, LLC

US Patent


Assay Description
The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The...


US Patent US9169209 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JH9
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM187034
PNG
(US9169209, Table 3, Compound 67)
Show SMILES COc1cc(OC)cc(c1)S(=O)(=O)c1ccc(NC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H20N2O5S/c1-28-18-12-19(29-2)14-21(13-18)30(26,27)20-8-6-17(7-9-20)24-22(25)10-5-16-4-3-11-23-15-16/h3-15H,1-2H3,(H,24,25)/b10-5+
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n/an/a 20.3n/an/an/an/an/an/a



FORMA TM, LLC

US Patent


Assay Description
The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The...


US Patent US9169209 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JH9
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM187035
PNG
(US9169209, Table 3, Compound 68)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1ccc(NC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H20N2O3S/c1-16-12-17(2)14-21(13-16)28(26,27)20-8-6-19(7-9-20)24-22(25)10-5-18-4-3-11-23-15-18/h3-15H,1-2H3,(H,24,25)/b10-5+
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n/an/a 17.1n/an/an/an/an/an/a



FORMA TM, LLC

US Patent


Assay Description
The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The...


US Patent US9169209 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JH9
More data for this
Ligand-Target Pair
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