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Compile Data Set for Download or QSAR

Found 2477 hits Enz. Inhib. hit(s) with Target = 'Nicotinamide phosphoribosyltransferase'   
Target
(Institution)
LigandTarget
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)

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)

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)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011178
PNG
(CHEMBL3260316)
Show SMILES CC(C)CCN(C(=O)COc1ccccc1)c1ncc(s1)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C23H29N5O3S/c1-18(2)9-13-28(21(29)16-31-19-7-4-3-5-8-19)23-26-15-20(32-23)22(30)25-10-6-12-27-14-11-24-17-27/h3-5,7-8,11,14-15,17-18H,6,9-10,12-13,16H2,1-2H3,(H,25,30)
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n/an/a 0.174n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminally His-tagged NAMPT by TR-FRET assay in presence of PRPP


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50443803
PNG
(CHEMBL3094250)
Show SMILES O=C(CCCCCCNC(NC#N)=Nc1ccncc1)N(OCCN1CCOCC1)C1CCCCC1
Show InChI InChI=1S/C26H41N7O3/c27-22-30-26(31-23-11-14-28-15-12-23)29-13-7-2-1-6-10-25(34)33(24-8-4-3-5-9-24)36-21-18-32-16-19-35-20-17-32/h11-12,14-15,24H,1-10,13,16-21H2,(H2,28,29,30,31)
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n/an/a 0.200n/an/an/an/an/an/a



Topotarget A/S

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...


J Med Chem 56: 9071-88 (2013)

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)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50439676
PNG
(CHEMBL2417796)
Show SMILES CN1CCN(Cc2nc3cc(Br)c(CN(CC#C)c4ccc(cc4)C(=O)NCc4cccnc4)cc3c(=O)n2C)CC1
Show InChI InChI=1S/C32H34BrN7O2/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



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

Curated by ChEMBL


Assay Description
Inhibition of NAMPT (unknown origin)


J Med Chem 56: 6279-96 (2013)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347432
PNG
(CHEMBL1801863)
Show SMILES Cn1c(CN2CCN(CCCN)CC2)nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O
Show InChI InChI=1S/C34H39ClN8O2/c1-3-13-43(28-9-7-26(8-10-28)33(44)38-22-25-6-4-12-37-21-25)23-27-19-29-31(20-30(27)35)39-32(40(2)34(29)45)24-42-17-15-41(16-18-42)14-5-11-36/h1,4,6-10,12,19-21H,5,11,13-18,22-24,36H2,2H3,(H,38,44)
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n/an/a 0.300n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347432
PNG
(CHEMBL1801863)
Show SMILES Cn1c(CN2CCN(CCCN)CC2)nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O
Show InChI InChI=1S/C34H39ClN8O2/c1-3-13-43(28-9-7-26(8-10-28)33(44)38-22-25-6-4-12-37-21-25)23-27-19-29-31(20-30(27)35)39-32(40(2)34(29)45)24-42-17-15-41(16-18-42)14-5-11-36/h1,4,6-10,12,19-21H,5,11,13-18,22-24,36H2,2H3,(H,38,44)
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n/an/a 0.300n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of NAMPT (unknown origin)


J Med Chem 56: 6279-96 (2013)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50443800
PNG
(CHEMBL3094255)
Show SMILES O=S(=O)(CCCCCCNC(NC#N)=Nc1ccncc1)N(OCCN1CCOCC1)C1CCCCC1
Show InChI InChI=1S/C25H41N7O4S/c26-22-29-25(30-23-10-13-27-14-11-23)28-12-6-1-2-7-21-37(33,34)32(24-8-4-3-5-9-24)36-20-17-31-15-18-35-19-16-31/h10-11,13-14,24H,1-9,12,15-21H2,(H2,27,28,29,30)
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n/an/a 0.300n/an/an/an/an/an/a



Topotarget A/S

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...


J Med Chem 56: 9071-88 (2013)

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 0.310n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011179
PNG
(CHEMBL3260317)
Show SMILES COCC(=O)N(CCC(C)C)c1ncc(s1)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C18H27N5O3S/c1-14(2)5-9-23(16(24)12-26-3)18-21-11-15(27-18)17(25)20-6-4-8-22-10-7-19-13-22/h7,10-11,13-14H,4-6,8-9,12H2,1-3H3,(H,20,25)
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n/an/a 0.412n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminally His-tagged NAMPT by TR-FRET assay in presence of PRPP


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347433
PNG
(CHEMBL1801864)
Show SMILES CC(C)=CCN(Cc1cc2c(cc1Cl)nnn(C)c2=O)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C27H27ClN6O2/c1-18(2)10-12-34(17-21-13-23-25(14-24(21)28)31-32-33(3)27(23)36)22-8-6-20(7-9-22)26(35)30-16-19-5-4-11-29-15-19/h4-11,13-15H,12,16-17H2,1-3H3,(H,30,35)
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n/an/a 0.450n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347433
PNG
(CHEMBL1801864)
Show SMILES CC(C)=CCN(Cc1cc2c(cc1Cl)nnn(C)c2=O)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C27H27ClN6O2/c1-18(2)10-12-34(17-21-13-23-25(14-24(21)28)31-32-33(3)27(23)36)22-8-6-20(7-9-22)26(35)30-16-19-5-4-11-29-15-19/h4-11,13-15H,12,16-17H2,1-3H3,(H,30,35)
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n/an/a 0.450n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of NAMPT (unknown origin)


J Med Chem 56: 6279-96 (2013)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011176
PNG
(CHEMBL3260314)
Show SMILES Fc1ccc(CN(C(=O)CC2CCCCC2)c2ncc(s2)C(=O)NCCCn2ccnc2)cc1
Show InChI InChI=1S/C25H30FN5O2S/c26-21-9-7-20(8-10-21)17-31(23(32)15-19-5-2-1-3-6-19)25-29-16-22(34-25)24(33)28-11-4-13-30-14-12-27-18-30/h7-10,12,14,16,18-19H,1-6,11,13,15,17H2,(H,28,33)
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n/an/a 0.461n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminally His-tagged NAMPT by TR-FRET assay in presence of PRPP


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347433
PNG
(CHEMBL1801864)
Show SMILES CC(C)=CCN(Cc1cc2c(cc1Cl)nnn(C)c2=O)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C27H27ClN6O2/c1-18(2)10-12-34(17-21-13-23-25(14-24(21)28)31-32-33(3)27(23)36)22-8-6-20(7-9-22)26(35)30-16-19-5-4-11-29-15-19/h4-11,13-15H,12,16-17H2,1-3H3,(H,30,35)
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n/an/a 0.5n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nampt after 3 hrs by counting analysis


J Med Chem 56: 4921-37 (2013)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347427
PNG
(CHEMBL1801934)
Show SMILES Cc1nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c(=O)n1C
Show InChI InChI=1S/C27H24ClN5O2/c1-4-12-33(17-21-13-23-25(14-24(21)28)31-18(2)32(3)27(23)35)22-9-7-20(8-10-22)26(34)30-16-19-6-5-11-29-15-19/h1,5-11,13-15H,12,16-17H2,2-3H3,(H,30,34)
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n/an/a 0.550n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50444655
PNG
(CHEMBL3098518)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(NC#N)=Nc2ccncc2)cc1
Show InChI InChI=1S/C20H15F2N5O2S/c21-15-9-16(22)11-19(10-15)30(28,29)18-3-1-14(2-4-18)12-25-20(26-13-23)27-17-5-7-24-8-6-17/h1-11H,12H2,(H2,24,25,26,27)
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n/an/a 0.600n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Nampt (unknown origin) using nicotinamide as substrate preincubated for 15 mins measured after 30 mins by mass spectrometry analysis


Bioorg Med Chem Lett 24: 337-43 (2013)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50011177
PNG
(CHEMBL3260315)
Show SMILES Fc1ccc(CN(C(=O)CN2CCC=CC2)c2ncc(s2)C(=O)NCCCn2ccnc2)cc1
Show InChI InChI=1S/C24H27FN6O2S/c25-20-7-5-19(6-8-20)16-31(22(32)17-29-11-2-1-3-12-29)24-28-15-21(34-24)23(33)27-9-4-13-30-14-10-26-18-30/h1-2,5-8,10,14-15,18H,3-4,9,11-13,16-17H2,(H,27,33)
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n/an/a 0.632n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human C-terminally His-tagged NAMPT by TR-FRET assay in presence of PRPP


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347431
PNG
(CHEMBL1801862)
Show SMILES Cn1c(CO)nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O
Show InChI InChI=1S/C27H24ClN5O3/c1-3-11-33(16-20-12-22-24(13-23(20)28)31-25(17-34)32(2)27(22)36)21-8-6-19(7-9-21)26(35)30-15-18-5-4-10-29-14-18/h1,4-10,12-14,34H,11,15-17H2,2H3,(H,30,35)
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n/an/a 0.790n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217311
PNG
(US9302989, 1552)
Show SMILES O=C(CC1CC1)N[C@H]1CC[C@H](CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C25H30N4O2/c30-24(13-17-1-2-17)27-22-7-3-18(4-8-22)19-5-9-23(10-6-19)28-25(31)29-15-20-11-12-26-14-21(20)16-29/h5-6,9-12,14,17-18,22H,1-4,7-8,13,15-16H2,(H,27,30)(H,28,31)/t18-,22+
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n/an/a 0.860n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM252532
PNG
(US9458172, 113 | US9458172, 135)
Show SMILES CN1CCN(CC1)c1ccc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1
Show InChI InChI=1S/C24H24N6O4S/c1-29-8-10-30(11-9-29)23-5-4-20(15-27-23)35(32,33)19-3-2-18(26-14-19)13-28-24(31)21-12-17-6-7-25-16-22(17)34-21/h2-7,12,14-16H,8-11,13H2,1H3,(H,28,31)
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n/an/a 0.916n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The NAMPT Enzymatic Reaction. 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) i...


US Patent US9458172 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217130
PNG
(US9302989, 451)
Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccc(cc2C1)C#N
Show InChI InChI=1S/C26H30N4O2/c27-17-21-9-10-23-18-30(19-24(23)16-21)26(32)28-13-5-4-6-20-11-14-29(15-12-20)25(31)22-7-2-1-3-8-22/h1-3,7-10,16,20H,4-6,11-15,18-19H2,(H,28,32)
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n/an/a 0.946n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 1:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217307
PNG
(US9302989, 1548)
Show SMILES CC(C)C(=O)N[C@H]1CC[C@H](CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C24H30N4O2/c1-16(2)23(29)26-21-7-3-17(4-8-21)18-5-9-22(10-6-18)27-24(30)28-14-19-11-12-25-13-20(19)15-28/h5-6,9-13,16-17,21H,3-4,7-8,14-15H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+
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n/an/a 0.973n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM252531
PNG
(US9458172, 112 | US9458172, 133)
Show SMILES COc1cc(OC)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1
Show InChI InChI=1S/C22H19N3O6S/c1-29-16-8-17(30-2)10-19(9-16)32(27,28)18-4-3-15(24-12-18)11-25-22(26)20-7-14-5-6-23-13-21(14)31-20/h3-10,12-13H,11H2,1-2H3,(H,25,26)
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n/an/a 0.990n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The NAMPT Enzymatic Reaction. 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) i...


US Patent US9458172 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM252531
PNG
(US9458172, 112 | US9458172, 133)
Show SMILES COc1cc(OC)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1
Show InChI InChI=1S/C22H19N3O6S/c1-29-16-8-17(30-2)10-19(9-16)32(27,28)18-4-3-15(24-12-18)11-25-22(26)20-7-14-5-6-23-13-21(14)31-20/h3-10,12-13H,11H2,1-2H3,(H,25,26)
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n/an/a 0.990n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The NAMPT Enzymatic Reaction. 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) i...


US Patent US9458172 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50438931
PNG
(CHEMBL2420634)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccc(nc1)N1CCOCC1)c1cnc2nccn2c1
Show InChI InChI=1S/C23H22N6O4S/c30-22(18-14-27-23-24-7-8-29(23)16-18)26-13-17-1-3-19(4-2-17)34(31,32)20-5-6-21(25-15-20)28-9-11-33-12-10-28/h1-8,14-16H,9-13H2,(H,26,30)
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n/an/a 1n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged NAMPT (unknown origin) expressed in Escherichia coli BL21 using nicotinamide as substrate preincubated for 15 min...


J Med Chem 56: 6413-33 (2013)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50438932
PNG
(CHEMBL2420633)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3nccn3c2)cc1
Show InChI InChI=1S/C21H15F3N4O3S/c22-21(23,24)16-2-1-3-18(10-16)32(30,31)17-6-4-14(5-7-17)11-26-19(29)15-12-27-20-25-8-9-28(20)13-15/h1-10,12-13H,11H2,(H,26,29)
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n/an/a 1n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged NAMPT (unknown origin) expressed in Escherichia coli BL21 using nicotinamide as substrate preincubated for 15 min...


J Med Chem 56: 6413-33 (2013)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216715
PNG
(US9302989, 1517)
Show SMILES CC(C)(C)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C24H28N4O2/c1-24(2,3)22(29)27-12-9-18(10-13-27)17-4-6-21(7-5-17)26-23(30)28-15-19-8-11-25-14-20(19)16-28/h4-9,11,14H,10,12-13,15-16H2,1-3H3,(H,26,30)
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n/an/a 1.03n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50443805
PNG
(CHEMBL3094249)
Show SMILES O=C(CCCCCCNC(NC#N)=Nc1ccncc1)NOC1CCCCC1
Show InChI InChI=1S/C20H30N6O2/c21-16-24-20(25-17-11-14-22-15-12-17)23-13-7-2-1-6-10-19(27)26-28-18-8-4-3-5-9-18/h11-12,14-15,18H,1-10,13H2,(H,26,27)(H2,22,23,24,25)
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n/an/a 1.10n/an/an/an/an/an/a



Topotarget A/S

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after ...


J Med Chem 56: 9071-88 (2013)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM186994
PNG
(US9169209, Table 3, Compound 25)
Show SMILES CC(C)Oc1cccc(c1)S(=O)(=O)c1ccc(NC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C23H22N2O4S/c1-17(2)29-20-6-3-7-22(15-20)30(27,28)21-11-9-19(10-12-21)25-23(26)13-8-18-5-4-14-24-16-18/h3-17H,1-2H3,(H,25,26)/b13-8+
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n/an/a 1.10n/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)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347394
PNG
(CHEMBL1801566)
Show SMILES CC(C)=CCN(Cc1ccc2ncn(C)c(=O)c2c1)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C28H29N5O2/c1-20(2)12-14-33(18-21-6-11-26-25(15-21)28(35)32(3)19-31-26)24-9-7-23(8-10-24)27(34)30-17-22-5-4-13-29-16-22/h4-13,15-16,19H,14,17-18H2,1-3H3,(H,30,34)
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n/an/a 1.20n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50439675
PNG
(CHEMBL2417788)
Show SMILES FC(F)(F)Oc1ccccc1S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1
Show InChI InChI=1S/C20H16F3N3O4S/c21-20(22,23)30-17-5-1-2-6-18(17)31(28,29)16-9-7-15(8-10-16)26-19(27)25-13-14-4-3-11-24-12-14/h1-12H,13H2,(H2,25,26,27)
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n/an/a 1.20n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of NAMPT (unknown origin)


J Med Chem 56: 6279-96 (2013)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216619
PNG
(US9302989, 1281)
Show SMILES O=C(Nc1ccc(cc1)C1=CCN(CC1)C(=O)C1CCOC1)N1Cc2ccc(cc2C1)C#N
Show InChI InChI=1/C26H26N4O3/c27-14-18-1-2-21-15-30(16-23(21)13-18)26(32)28-24-5-3-19(4-6-24)20-7-10-29(11-8-20)25(31)22-9-12-33-17-22/h1-7,13,22H,8-12,15-17H2,(H,28,32)
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n/an/a 1.22n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217130
PNG
(US9302989, 451)
Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccc(cc2C1)C#N
Show InChI InChI=1S/C26H30N4O2/c27-17-21-9-10-23-18-30(19-24(23)16-21)26(32)28-13-5-4-6-20-11-14-29(15-12-20)25(31)22-7-2-1-3-8-22/h1-3,7-10,16,20H,4-6,11-15,18-19H2,(H,28,32)
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n/an/a 1.24n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347407
PNG
(CHEMBL1801561)
Show SMILES Clc1ccccc1CN(CC1CC1)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C24H24ClN3O/c25-23-6-2-1-5-21(23)17-28(16-18-7-8-18)22-11-9-20(10-12-22)24(29)27-15-19-4-3-13-26-14-19/h1-6,9-14,18H,7-8,15-17H2,(H,27,29)
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n/an/a 1.30n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216620
PNG
(US9302989, 1282)
Show SMILES O=C(Nc1ccc(cc1)C1=CCN(CC1)C(=O)C1CCOCC1)N1Cc2ccc(cc2C1)C#N
Show InChI InChI=1S/C27H28N4O3/c28-16-19-1-2-23-17-31(18-24(23)15-19)27(33)29-25-5-3-20(4-6-25)21-7-11-30(12-8-21)26(32)22-9-13-34-14-10-22/h1-7,15,22H,8-14,17-18H2,(H,29,33)
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n/an/a 1.34n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216698
PNG
(US9302989, 1497)
Show SMILES CCC(C)(O)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1/C24H28N4O3/c1-3-24(2,31)22(29)27-12-9-18(10-13-27)17-4-6-21(7-5-17)26-23(30)28-15-19-8-11-25-14-20(19)16-28/h4-9,11,14,31H,3,10,12-13,15-16H2,1-2H3,(H,26,30)
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n/an/a 1.35n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216689
PNG
(US9302989, 1486)
Show SMILES CC(C)C(C)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1/C25H30N4O2/c1-17(2)18(3)24(30)28-12-9-20(10-13-28)19-4-6-23(7-5-19)27-25(31)29-15-21-8-11-26-14-22(21)16-29/h4-9,11,14,17-18H,10,12-13,15-16H2,1-3H3,(H,27,31)
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n/an/a 1.37n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM186981
PNG
(US9169209, Table 3, Compound 12)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)c1cncc(c1)N1CCCC1)\C=C\c1cccnc1
Show InChI InChI=1S/C23H22N4O3S/c28-23(10-5-18-4-3-11-24-15-18)26-19-6-8-21(9-7-19)31(29,30)22-14-20(16-25-17-22)27-12-1-2-13-27/h3-11,14-17H,1-2,12-13H2,(H,26,28)/b10-5+
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US Patent
n/an/a 1.40n/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)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347415
PNG
(CHEMBL1801552)
Show SMILES CC(C)=CCN(Cc1ccc2nc(C)n(C)c(=O)c2c1)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C29H31N5O2/c1-20(2)13-15-34(19-22-7-12-27-26(16-22)29(36)33(4)21(3)32-27)25-10-8-24(9-11-25)28(35)31-18-23-6-5-14-30-17-23/h5-14,16-17H,15,18-19H2,1-4H3,(H,31,35)
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n/an/a 1.40n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216618
PNG
(US9302989, 1019)
Show SMILES CC(C)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccc(cc3C2)C#N)cc1
Show InChI InChI=1S/C25H26N4O2/c1-17(2)24(30)28-11-9-20(10-12-28)19-5-7-23(8-6-19)27-25(31)29-15-21-4-3-18(14-26)13-22(21)16-29/h3-9,13,17H,10-12,15-16H2,1-2H3,(H,27,31)
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n/an/a 1.44n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217112
PNG
(US9302989, 407)
Show SMILES O=C(Nc1ccc(cc1)C1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C27H27N3O2/c31-26(22-6-2-1-3-7-22)29-16-14-21(15-17-29)20-10-12-25(13-11-20)28-27(32)30-18-23-8-4-5-9-24(23)19-30/h1-13,21H,14-19H2,(H,28,32)
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n/an/a 1.45n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 1:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216687
PNG
(US9302989, 1484)
Show SMILES Cc1cc(nn1C)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C25H26N6O2/c1-17-13-23(28-29(17)2)24(32)30-11-8-19(9-12-30)18-3-5-22(6-4-18)27-25(33)31-15-20-7-10-26-14-21(20)16-31/h3-8,10,13-14H,9,11-12,15-16H2,1-2H3,(H,27,33)
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n/an/a 1.49n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216683
PNG
(US9302989, 1479)
Show SMILES Cc1nc(co1)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C24H23N5O3/c1-16-26-22(15-32-16)23(30)28-10-7-18(8-11-28)17-2-4-21(5-3-17)27-24(31)29-13-19-6-9-25-12-20(19)14-29/h2-7,9,12,15H,8,10-11,13-14H2,1H3,(H,27,31)
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n/an/a 1.5n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50347391
PNG
(CHEMBL1801563)
Show SMILES C\C=C\CN(Cc1ccccc1Cl)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C24H24ClN3O/c1-2-3-15-28(18-21-8-4-5-9-23(21)25)22-12-10-20(11-13-22)24(29)27-17-19-7-6-14-26-16-19/h2-14,16H,15,17-18H2,1H3,(H,27,29)/b3-2+
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n/an/a 1.5n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide


J Med Chem 53: 8734-46 (2010)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216621
PNG
(US9302989, 1283)
Show SMILES CC(C)(O)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccc(cc3C2)C#N)cc1
Show InChI InChI=1S/C25H26N4O3/c1-25(2,32)23(30)28-11-9-19(10-12-28)18-5-7-22(8-6-18)27-24(31)29-15-20-4-3-17(14-26)13-21(20)16-29/h3-9,13,32H,10-12,15-16H2,1-2H3,(H,27,31)
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n/an/a 1.51n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216700
PNG
(US9302989, 1499)
Show SMILES O=C(CC1CC1)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C24H26N4O2/c29-23(13-17-1-2-17)27-11-8-19(9-12-27)18-3-5-22(6-4-18)26-24(30)28-15-20-7-10-25-14-21(20)16-28/h3-8,10,14,17H,1-2,9,11-13,15-16H2,(H,26,30)
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n/an/a 1.52n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216693
PNG
(US9302989, 1492)
Show SMILES CC(C)(O)CC(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C24H28N4O3/c1-24(2,31)13-22(29)27-11-8-18(9-12-27)17-3-5-21(6-4-17)26-23(30)28-15-19-7-10-25-14-20(19)16-28/h3-8,10,14,31H,9,11-13,15-16H2,1-2H3,(H,26,30)
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n/an/a 1.53n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216716
PNG
(US9302989, 1518)
Show SMILES CCC(C)CCC(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1/C26H32N4O2/c1-3-19(2)4-9-25(31)29-14-11-21(12-15-29)20-5-7-24(8-6-20)28-26(32)30-17-22-10-13-27-16-23(22)18-30/h5-8,10-11,13,16,19H,3-4,9,12,14-15,17-18H2,1-2H3,(H,28,32)
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n/an/a 1.55n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
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