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Compile Data Set for Download or QSAR

Found 1080 hits with Last Name = 'ho' and Initial = 'yc'   
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))		BDBM50202721
PNG
(CHEMBL3968268 | US10730889, Example 399 | US114857...)
Show SMILES CC1(CC(=O)N2CCC3(CC3CNC(=O)N3Cc4ccncc4C3)CC2)CCOCC1
Show InChI InChI=1S/C24H34N4O3/c1-23(5-10-31-11-6-23)13-21(29)27-8-3-24(4-9-27)12-20(24)15-26-22(30)28-16-18-2-7-25-14-19(18)17-28/h2,7,14,20H,3-6,8-13,15-17H2,1H3,(H,26,30)
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n/an/a 0.400n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50347433
PNG
(CHEMBL1801864)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6]-c1cc2c(cc1Cl)nnn(-[#6])c2=O)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-c1cccnc1
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)


Article DOI: 10.1021/jm400186h
BindingDB Entry DOI: 10.7270/Q20G3MJ6
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50202656
PNG
(CHEMBL3916438 | US10730889, Example 419 | US114857...)
Show SMILES CC1(COC1)OC(=O)N1CCC2(C[C@@H]2CNC(=O)N2Cc3ccncc3C2)CC1 |r|
Show InChI InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(H,23,26)/t17-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
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 |w:21.22|
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)


Article DOI: 10.1016/j.bmcl.2013.11.006
BindingDB Entry DOI: 10.7270/Q2CJ8FZH
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 1n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50202642
PNG
(CHEMBL3948584)
Show SMILES CC(C)(C)OC(=O)N1CCC2(C[C@@H]2CNC(=O)N2Cc3ccncc3C2)CC1 |r|
Show InChI InChI=1S/C21H30N4O3/c1-20(2,3)28-19(27)24-8-5-21(6-9-24)10-17(21)12-23-18(26)25-13-15-4-7-22-11-16(15)14-25/h4,7,11,17H,5-6,8-10,12-14H2,1-3H3,(H,23,26)/t17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50202639
PNG
(CHEMBL3983716 | US10730889, Example 350 | US114857...)
Show SMILES CC1(COC1)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
Show InChI InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(H,23,26)
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n/an/a 1n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
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)


Article DOI: 10.1021/jm4008664
BindingDB Entry DOI: 10.7270/Q2H996MB
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)


Article DOI: 10.1021/jm4008664
BindingDB Entry DOI: 10.7270/Q2H996MB
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50435350
PNG
(CHEMBL17289)
Show SMILES Clc1ccc(OCCCCCCNC(Nc2ccncc2)=NC#N)cc1 |w:21.22|
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 1n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50202656
PNG
(CHEMBL3916438 | US10730889, Example 419 | US114857...)
Show SMILES CC1(COC1)OC(=O)N1CCC2(C[C@@H]2CNC(=O)N2Cc3ccncc3C2)CC1 |r|
Show InChI InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(H,23,26)/t17-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human HT1080 cells assessed as decrease in cell viability after 96 hrs by CyQuant-Direct reagent based assay

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50202658
PNG
(CHEMBL3893879 | US10730889, Example 49 | US1148574...)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
Show InChI InChI=1S/C21H30N4O3/c1-20(2,3)28-19(27)24-8-5-21(6-9-24)10-17(21)12-23-18(26)25-13-15-4-7-22-11-16(15)14-25/h4,7,11,17H,5-6,8-10,12-14H2,1-3H3,(H,23,26)
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n/an/a 1.60n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM455760
PNG
(BDBM50202668 | N-[[6-(2,4-dimethyloxazole-5- carbo...)
Show SMILES Cc1nc(C)c(o1)C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
Show InChI InChI=1S/C22H27N5O3/c1-14-19(30-15(2)25-14)20(28)26-7-4-22(5-8-26)9-18(22)11-24-21(29)27-12-16-3-6-23-10-17(16)13-27/h3,6,10,18H,4-5,7-9,11-13H2,1-2H3,(H,24,29)
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n/an/a 1.60n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50202716
PNG
(CHEMBL3913883 | US11485745, Example 218)
Show SMILES COCC(C)(C)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
Show InChI InChI=1S/C22H32N4O4/c1-21(2,15-29-3)30-20(28)25-8-5-22(6-9-25)10-18(22)12-24-19(27)26-13-16-4-7-23-11-17(16)14-26/h4,7,11,18H,5-6,8-10,12-15H2,1-3H3,(H,24,27)
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n/an/a 1.60n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50202636
PNG
(CHEMBL3963163 | US10730889, Example 45 | US1148574...)
Show SMILES CC(C)(C)CC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
Show InChI InChI=1S/C22H32N4O2/c1-21(2,3)11-19(27)25-8-5-22(6-9-25)10-18(22)13-24-20(28)26-14-16-4-7-23-12-17(16)15-26/h4,7,12,18H,5-6,8-11,13-15H2,1-3H3,(H,24,28)
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n/an/a 1.60n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50444654
PNG
(CHEMBL3098517)
Show SMILES O=S(=O)(c1ccc(CNC(NC#N)=Nc2ccncc2)cc1)c1ccc(nc1)N1CCOCC1 |w:13.13|
Show InChI InChI=1S/C23H23N7O3S/c24-17-28-23(29-19-7-9-25-10-8-19)27-15-18-1-3-20(4-2-18)34(31,32)21-5-6-22(26-16-21)30-11-13-33-14-12-30/h1-10,16H,11-15H2,(H2,25,27,28,29)
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n/an/a 1.70n/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)


Article DOI: 10.1016/j.bmcl.2013.11.006
BindingDB Entry DOI: 10.7270/Q2CJ8FZH
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50444653
PNG
(CHEMBL3098610)
Show SMILES COc1cccc(c1)S(=O)(=O)c1ccc(CNC(NC#N)=Nc2ccncc2)cc1 |w:21.22|
Show InChI InChI=1S/C21H19N5O3S/c1-29-18-3-2-4-20(13-18)30(27,28)19-7-5-16(6-8-19)14-24-21(25-15-22)26-17-9-11-23-12-10-17/h2-13H,14H2,1H3,(H2,23,24,25,26)
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n/an/a 1.90n/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)


Article DOI: 10.1016/j.bmcl.2013.11.006
BindingDB Entry DOI: 10.7270/Q2CJ8FZH
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 2n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
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 |w:17.17|
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/a7.525



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))		BDBM50435350
PNG
(CHEMBL17289)
Show SMILES Clc1ccc(OCCCCCCNC(Nc2ccncc2)=NC#N)cc1 |w:21.22|
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.

Curated by ChEMBL


Assay Description
Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50439306
PNG
(CHEMBL2417572)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)C1CCCCC1)N1Cc2ccncc2C1
Show InChI InChI=1S/C21H25N3O3S/c25-21(24-14-17-10-11-22-13-18(17)15-24)23-12-16-6-8-20(9-7-16)28(26,27)19-4-2-1-3-5-19/h6-11,13,19H,1-5,12,14-15H2,(H,23,25)
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n/an/a 2n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50439306
PNG
(CHEMBL2417572)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)C1CCCCC1)N1Cc2ccncc2C1
Show InChI InChI=1S/C21H25N3O3S/c25-21(24-14-17-10-11-22-13-18(17)15-24)23-12-16-6-8-20(9-7-16)28(26,27)19-4-2-1-3-5-19/h6-11,13,19H,1-5,12,14-15H2,(H,23,25)
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n/an/a 2n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of human NAMPT using NAM/PRPP as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by mass spectrometric ...

Bioorg Med Chem Lett 23: 4875-85 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.090
BindingDB Entry DOI: 10.7270/Q25T3MWP
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50438961
PNG
(CHEMBL2420638)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccccc1)c1cnc2nccn2c1
Show InChI InChI=1S/C20H16N4O3S/c25-19(16-13-23-20-21-10-11-24(20)14-16)22-12-15-6-8-18(9-7-15)28(26,27)17-4-2-1-3-5-17/h1-11,13-14H,12H2,(H,22,25)
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n/an/a 2n/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)


Article DOI: 10.1021/jm4008664
BindingDB Entry DOI: 10.7270/Q2H996MB
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50438933
PNG
(CHEMBL2420632)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3nccn3c2)cc1
Show InChI InChI=1S/C20H14F2N4O3S/c21-15-7-16(22)9-18(8-15)30(28,29)17-3-1-13(2-4-17)10-24-19(27)14-11-25-20-23-5-6-26(20)12-14/h1-9,11-12H,10H2,(H,24,27)
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n/an/a 2n/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)


Article DOI: 10.1021/jm4008664
BindingDB Entry DOI: 10.7270/Q2H996MB
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50435350
PNG
(CHEMBL17289)
Show SMILES Clc1ccc(OCCCCCCNC(Nc2ccncc2)=NC#N)cc1 |w:21.22|
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

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...

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))		BDBM50448625
PNG
(CHEMBL3127508)
Show SMILES CC(C)(O)Cn1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r|
Show InChI InChI=1S/C22H24N4O4S/c1-22(2,28)14-26-13-18(12-24-26)31(29,30)17-7-5-16(6-8-17)25-21(27)20-10-19(20)15-4-3-9-23-11-15/h3-9,11-13,19-20,28H,10,14H2,1-2H3,(H,25,27)/t19-,20+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...

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))		BDBM50435350
PNG
(CHEMBL17289)
Show SMILES Clc1ccc(OCCCCCCNC(Nc2ccncc2)=NC#N)cc1 |w:21.22|
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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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)


Article DOI: 10.1021/jm4008664
BindingDB Entry DOI: 10.7270/Q2H996MB
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50435350
PNG
(CHEMBL17289)
Show SMILES Clc1ccc(OCCCCCCNC(Nc2ccncc2)=NC#N)cc1 |w:21.22|
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



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Nampt (unknown origin) using NAM/PRPP as substrate preincubated for 15 mins measured after 30 mins

J Med Chem 56: 4921-37 (2013)


Article DOI: 10.1021/jm400186h
BindingDB Entry DOI: 10.7270/Q20G3MJ6
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50444652
PNG
(CHEMBL3098516)
Show SMILES O=S(=O)(c1ccc(CNC(NC#N)=Nc2ccncc2)cc1)c1cccnc1 |w:13.13|
Show InChI InChI=1S/C19H16N6O2S/c20-14-24-19(25-16-7-10-21-11-8-16)23-12-15-3-5-17(6-4-15)28(26,27)18-2-1-9-22-13-18/h1-11,13H,12H2,(H2,21,23,24,25)
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n/an/a 2n/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)


Article DOI: 10.1016/j.bmcl.2013.11.006
BindingDB Entry DOI: 10.7270/Q2CJ8FZH
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50444651
PNG
(CHEMBL3098512)
Show SMILES O=S(=O)(c1ccccc1)c1ccc(CNC(NC#N)=Nc2cccnc2)cc1 |w:19.20|
Show InChI InChI=1S/C20H17N5O2S/c21-15-24-20(25-17-5-4-12-22-14-17)23-13-16-8-10-19(11-9-16)28(26,27)18-6-2-1-3-7-18/h1-12,14H,13H2,(H2,23,24,25)
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n/an/a 2.20n/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)


Article DOI: 10.1016/j.bmcl.2013.11.006
BindingDB Entry DOI: 10.7270/Q2CJ8FZH
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50202639
PNG
(CHEMBL3983716 | US10730889, Example 350 | US114857...)
Show SMILES CC1(COC1)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
Show InChI InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(H,23,26)
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n/an/a 2.20n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50444649
PNG
(CHEMBL3098608)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(NC#N)=Nc2ccncc2)cc1 |w:23.24|
Show InChI InChI=1S/C21H16F3N5O2S/c22-21(23,24)16-2-1-3-19(12-16)32(30,31)18-6-4-15(5-7-18)13-27-20(28-14-25)29-17-8-10-26-11-9-17/h1-12H,13H2,(H2,26,27,28,29)
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n/an/a 2.40n/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)


Article DOI: 10.1016/j.bmcl.2013.11.006
BindingDB Entry DOI: 10.7270/Q2CJ8FZH
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50444650
PNG
(CHEMBL3098511)
Show SMILES O=S(=O)(N1CC2CCC(C1)O2)c1ccc(CNC(NC#N)=Nc2ccncc2)cc1 |w:21.23|
Show InChI InChI=1S/C20H22N6O3S/c21-14-24-20(25-16-7-9-22-10-8-16)23-11-15-1-5-19(6-2-15)30(27,28)26-12-17-3-4-18(13-26)29-17/h1-2,5-10,17-18H,3-4,11-13H2,(H2,22,23,24,25)
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n/an/a 2.40n/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)


Article DOI: 10.1016/j.bmcl.2013.11.006
BindingDB Entry DOI: 10.7270/Q2CJ8FZH
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50444648
PNG
(CHEMBL3098510)
Show SMILES O=S(=O)(c1ccccc1)c1ccc(CNC(NC#N)=Nc2ccncc2)cc1 |w:19.20|
Show InChI InChI=1S/C20H17N5O2S/c21-15-24-20(25-17-10-12-22-13-11-17)23-14-16-6-8-19(9-7-16)28(26,27)18-4-2-1-3-5-18/h1-13H,14H2,(H2,22,23,24,25)
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n/an/a 2.5n/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)


Article DOI: 10.1016/j.bmcl.2013.11.006
BindingDB Entry DOI: 10.7270/Q2CJ8FZH
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 3n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Nampt (unknown origin) using NAM/PRPP as substrate preincubated for 15 mins measured after 30 mins

J Med Chem 56: 4921-37 (2013)


Article DOI: 10.1021/jm400186h
BindingDB Entry DOI: 10.7270/Q20G3MJ6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50438962
PNG
(CHEMBL2420637 | US10696692, Example 6)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1cnc2nccn2c1
Show InChI InChI=1S/C19H21N5O3S/c25-18(16-13-22-19-20-8-11-23(19)14-16)21-12-15-4-6-17(7-5-15)28(26,27)24-9-2-1-3-10-24/h4-8,11,13-14H,1-3,9-10,12H2,(H,21,25)
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n/an/a 3n/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)


Article DOI: 10.1021/jm4008664
BindingDB Entry DOI: 10.7270/Q2H996MB
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50438940
PNG
(CHEMBL2420625)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccc(nc1)N1CCOCC1)c1cc2ccncc2o1
Show InChI InChI=1S/C24H22N4O5S/c29-24(21-13-18-7-8-25-16-22(18)33-21)27-14-17-1-3-19(4-2-17)34(30,31)20-5-6-23(26-15-20)28-9-11-32-12-10-28/h1-8,13,15-16H,9-12,14H2,(H,27,29)
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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)


Article DOI: 10.1021/jm4008664
BindingDB Entry DOI: 10.7270/Q2H996MB
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50438939
PNG
(CHEMBL2420626)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3s2)cc1
Show InChI InChI=1S/C21H14F2N2O3S2/c22-15-8-16(23)10-18(9-15)30(27,28)17-3-1-13(2-4-17)11-25-21(26)19-7-14-5-6-24-12-20(14)29-19/h1-10,12H,11H2,(H,25,26)
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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)


Article DOI: 10.1021/jm4008664
BindingDB Entry DOI: 10.7270/Q2H996MB
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50438938
PNG
(CHEMBL2420627)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3s2)cc1
Show InChI InChI=1S/C22H15F3N2O3S2/c23-22(24,25)16-2-1-3-18(11-16)32(29,30)17-6-4-14(5-7-17)12-27-21(28)19-10-15-8-9-26-13-20(15)31-19/h1-11,13H,12H2,(H,27,28)
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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)


Article DOI: 10.1021/jm4008664
BindingDB Entry DOI: 10.7270/Q2H996MB
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50438937
PNG
(CHEMBL2420628)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccc(nc1)N1CCOCC1)c1cc2ccncc2s1
Show InChI InChI=1S/C24H22N4O4S2/c29-24(21-13-18-7-8-25-16-22(18)33-21)27-14-17-1-3-19(4-2-17)34(30,31)20-5-6-23(26-15-20)28-9-11-32-12-10-28/h1-8,13,15-16H,9-12,14H2,(H,27,29)
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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)


Article DOI: 10.1021/jm4008664
BindingDB Entry DOI: 10.7270/Q2H996MB
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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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50435348
PNG
(CHEMBL2391572 | US11279687, Compound 439)
Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H17N3O3S/c23-19(21-14-15-5-4-12-20-13-15)22-16-8-10-18(11-9-16)26(24,25)17-6-2-1-3-7-17/h1-13H,14H2,(H2,21,22,23)
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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50435774
PNG
(CHEMBL2393183 | US11279687, Compound 204)
Show SMILES Nc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1
Show InChI InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24)
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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba...

J Med Chem 59: 8345-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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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)


Article DOI: 10.1021/jm4008664
BindingDB Entry DOI: 10.7270/Q2H996MB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50435348
PNG
(CHEMBL2391572 | US11279687, Compound 439)
Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H17N3O3S/c23-19(21-14-15-5-4-12-20-13-15)22-16-8-10-18(11-9-16)26(24,25)17-6-2-1-3-7-17/h1-13H,14H2,(H2,21,22,23)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of NAMPT (unknown origin) assessed as NAM conversion to NMN preincubated for 15 mins prior to substrate addition measured after 30 mins by...

Bioorg Med Chem Lett 23: 3531-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.040
BindingDB Entry DOI: 10.7270/Q2DJ5H1D
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50435771
PNG
(CHEMBL2393168)
Show SMILES FC(F)(F)C1CCN(CCN1)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1
Show InChI InChI=1S/C19H22F3N5O3S/c20-19(21,22)17-7-10-27(11-9-24-17)31(29,30)16-5-3-15(4-6-16)26-18(28)25-13-14-2-1-8-23-12-14/h1-6,8,12,17,24H,7,9-11,13H2,(H2,25,26,28)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of NAMPT (unknown origin) assessed as NAM conversion to NMN preincubated for 15 mins prior to substrate addition measured after 30 mins by...

Bioorg Med Chem Lett 23: 3531-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.040
BindingDB Entry DOI: 10.7270/Q2DJ5H1D
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50435774
PNG
(CHEMBL2393183 | US11279687, Compound 204)
Show SMILES Nc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1
Show InChI InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of NAMPT (unknown origin) assessed as NAM conversion to NMN preincubated for 15 mins prior to substrate addition measured after 30 mins by...

Bioorg Med Chem Lett 23: 3531-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.040
BindingDB Entry DOI: 10.7270/Q2DJ5H1D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50435349
PNG
(CHEMBL2391585 | US11279687, Compound 208)
Show SMILES O=C(NCc1ccc2nccn2c1)Nc1ccc(cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H18N4O3S/c26-21(23-14-16-6-11-20-22-12-13-25(20)15-16)24-17-7-9-19(10-8-17)29(27,28)18-4-2-1-3-5-18/h1-13,15H,14H2,(H2,23,24,26)
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Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Nampt (unknown origin) using NAM/PRPP as substrate preincubated for 15 mins measured after 30 mins

J Med Chem 56: 4921-37 (2013)


Article DOI: 10.1021/jm400186h
BindingDB Entry DOI: 10.7270/Q20G3MJ6
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50438939
PNG
(CHEMBL2420626)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3s2)cc1
Show InChI InChI=1S/C21H14F2N2O3S2/c22-15-8-16(23)10-18(9-15)30(27,28)17-3-1-13(2-4-17)11-25-21(26)19-7-14-5-6-24-12-20(14)29-19/h1-10,12H,11H2,(H,25,26)
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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure...

Bioorg Med Chem Lett 25: 529-41 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50435774
PNG
(CHEMBL2393183 | US11279687, Compound 204)
Show SMILES Nc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1
Show InChI InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...

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)
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