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Compile Data Set for Download or QSAR

Found 26 hits of kd data for polymerid = 4910   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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))
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))
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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PubMed
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