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Compile Data Set for Download or QSAR

Found 33 hits of affinity data for UniProtKB/TrEMBL: Q99KQ4   
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


(Mus musculus)
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 2.70n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236217
PNG
(CHEMBL4061448)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H29N5O/c33-27(25-16-8-7-15-24(25)22-12-5-4-6-13-22)29-18-9-2-1-3-10-19-32-21-26(30-31-32)23-14-11-17-28-20-23/h4-8,11-17,20-21H,1-3,9-10,18-19H2,(H,29,33)
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n/an/a 3.10n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515548
PNG
(CHEMBL4458472)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-n1ccnn1
Show InChI InChI=1S/C23H26N8O/c32-23(20-10-4-5-11-22(20)31-16-14-26-28-31)25-13-6-2-1-3-7-15-30-18-21(27-29-30)19-9-8-12-24-17-19/h4-5,8-12,14,16-18H,1-3,6-7,13,15H2,(H,25,32)
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n/an/a 3.40n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236220
PNG
(CHEMBL4074848)
Show SMILES C(CCCn1cc(nn1)-c1cccnc1)CCOc1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c1(8-17-29-20-24(27-28-29)22-13-10-16-26-19-22)2-9-18-30-25-15-7-6-14-23(25)21-11-4-3-5-12-21/h3-7,10-16,19-20H,1-2,8-9,17-18H2
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n/an/a 3.80n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
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 4.90n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236219
PNG
(CHEMBL4066091)
Show SMILES C(CCCn1cc(nn1)-c1cccnc1)CCCn1cc(nn1)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C28H29N7/c1(2-9-18-34-21-27(30-32-34)24-14-11-17-29-20-24)3-10-19-35-22-28(31-33-35)26-16-8-7-15-25(26)23-12-5-4-6-13-23/h4-8,11-17,20-22H,1-3,9-10,18-19H2
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n/an/a 8.10n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515544
PNG
(CHEMBL4535593)
Show SMILES CN1CCN(Cc2cn(nn2)-c2ccccc2C(=O)NCCCCCCCn2cc(nn2)-c2cccnc2)CC1
Show InChI InChI=1S/C29H38N10O/c1-36-16-18-37(19-17-36)21-25-22-39(35-32-25)28-12-6-5-11-26(28)29(40)31-14-7-3-2-4-8-15-38-23-27(33-34-38)24-10-9-13-30-20-24/h5-6,9-13,20,22-23H,2-4,7-8,14-19,21H2,1H3,(H,31,40)
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n/an/a 14n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236221
PNG
(CHEMBL4078882)
Show SMILES C(Cc1ccc(Cn2cc(nn2)-c2cccnc2)cc1)Oc1ccccc1-c1ccccc1
Show InChI InChI=1S/C28H24N4O/c1-2-7-24(8-3-1)26-10-4-5-11-28(26)33-18-16-22-12-14-23(15-13-22)20-32-21-27(30-31-32)25-9-6-17-29-19-25/h1-15,17,19,21H,16,18,20H2
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n/an/a 16n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515540
PNG
(CHEMBL4470375)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-n1cc(CN2CCCCC2)nn1
Show InChI InChI=1S/C29H37N9O/c39-29(26-13-5-6-14-28(26)38-22-25(32-35-38)21-36-17-8-4-9-18-36)31-16-7-2-1-3-10-19-37-23-27(33-34-37)24-12-11-15-30-20-24/h5-6,11-15,20,22-23H,1-4,7-10,16-19,21H2,(H,31,39)
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n/an/a 17n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515543
PNG
(CHEMBL4464821)
Show SMILES CCOC(=O)C1CCN(Cc2cn(nn2)-c2ccccc2C(=O)NCCCCCCCn2cc(nn2)-c2cccnc2)CC1
Show InChI InChI=1S/C32H41N9O3/c1-2-44-32(43)25-14-19-39(20-15-25)22-27-23-41(38-35-27)30-13-7-6-12-28(30)31(42)34-17-8-4-3-5-9-18-40-24-29(36-37-40)26-11-10-16-33-21-26/h6-7,10-13,16,21,23-25H,2-5,8-9,14-15,17-20,22H2,1H3,(H,34,42)
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n/an/a 21n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


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



Forma Therapeutics, Inc.

Curated by ChEMBL


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


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


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


(Mus musculus)
BDBM50515551
PNG
(CHEMBL4446772)
Show SMILES CC(C)N1CCN(Cc2cn(nn2)-c2ccccc2C(=O)NCCCCCCCn2cc(nn2)-c2cccnc2)CC1
Show InChI InChI=1S/C31H42N10O/c1-25(2)39-19-17-38(18-20-39)22-27-23-41(37-34-27)30-13-7-6-12-28(30)31(42)33-15-8-4-3-5-9-16-40-24-29(35-36-40)26-11-10-14-32-21-26/h6-7,10-14,21,23-25H,3-5,8-9,15-20,22H2,1-2H3,(H,33,42)
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n/an/a 25n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515552
PNG
(CHEMBL4469394)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-n1cc(CN2CCCC2)nn1
Show InChI InChI=1S/C28H35N9O/c38-28(25-12-4-5-13-27(25)37-21-24(31-34-37)20-35-16-8-9-17-35)30-15-6-2-1-3-7-18-36-22-26(32-33-36)23-11-10-14-29-19-23/h4-5,10-14,19,21-22H,1-3,6-9,15-18,20H2,(H,30,38)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236223
PNG
(CHEMBL4083606)
Show SMILES C(CCCCn1cc(nn1)-c1cccnc1)CCCOc1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H30N4O/c1(3-10-19-31-22-26(29-30-31)24-15-12-18-28-21-24)2-4-11-20-32-27-17-9-8-16-25(27)23-13-6-5-7-14-23/h5-9,12-18,21-22H,1-4,10-11,19-20H2
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Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515556
PNG
(CHEMBL4555764)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C26H28N6O/c33-26(24-13-5-4-12-23(24)21-10-8-14-27-18-21)29-16-6-2-1-3-7-17-32-20-25(30-31-32)22-11-9-15-28-19-22/h4-5,8-15,18-20H,1-3,6-7,16-17H2,(H,29,33)
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n/an/a 29n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236222
PNG
(CHEMBL4101611)
Show SMILES C(CCCOc1ccccc1-c1ccccc1)CCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C26H28N4O/c1(2-9-18-30-21-25(28-29-30)23-14-11-17-27-20-23)3-10-19-31-26-16-8-7-15-24(26)22-12-5-4-6-13-22/h4-8,11-17,20-21H,1-3,9-10,18-19H2
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n/an/a 31n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236224
PNG
(CHEMBL4088492)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H30N6O/c34-27(30-25-16-8-7-15-24(25)22-12-5-4-6-13-22)29-18-9-2-1-3-10-19-33-21-26(31-32-33)23-14-11-17-28-20-23/h4-8,11-17,20-21H,1-3,9-10,18-19H2,(H2,29,30,34)
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Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515541
PNG
(CHEMBL4590810)
Show SMILES OC(=O)c1ccccc1-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C28H29N5O3/c34-27(24-14-6-4-12-22(24)23-13-5-7-15-25(23)28(35)36)30-17-8-2-1-3-9-18-33-20-26(31-32-33)21-11-10-16-29-19-21/h4-7,10-16,19-20H,1-3,8-9,17-18H2,(H,30,34)(H,35,36)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515546
PNG
(CHEMBL4577703)
Show SMILES OC1CCN(Cc2cn(nn2)-c2ccccc2C(=O)NCCCCCCCn2cc(nn2)-c2cccnc2)CC1
Show InChI InChI=1S/C29H37N9O2/c39-25-12-17-36(18-13-25)20-24-21-38(35-32-24)28-11-5-4-10-26(28)29(40)31-15-6-2-1-3-7-16-37-22-27(33-34-37)23-9-8-14-30-19-23/h4-5,8-11,14,19,21-22,25,39H,1-3,6-7,12-13,15-18,20H2,(H,31,40)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515545
PNG
(CHEMBL4440197)
Show SMILES CN(C)Cc1cn(nn1)-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C26H33N9O/c1-33(2)18-22-19-35(32-29-22)25-13-7-6-12-23(25)26(36)28-15-8-4-3-5-9-16-34-20-24(30-31-34)21-11-10-14-27-17-21/h6-7,10-14,17,19-20H,3-5,8-9,15-16,18H2,1-2H3,(H,28,36)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515547
PNG
(CHEMBL4444551)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C23H26N8O/c32-23(20-11-5-4-10-19(20)21-16-26-29-27-21)25-13-6-2-1-3-7-14-31-17-22(28-30-31)18-9-8-12-24-15-18/h4-5,8-12,15-17H,1-3,6-7,13-14H2,(H,25,32)(H,26,27,29)
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n/an/a 43n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236216
PNG
(CHEMBL4064240)
Show SMILES O=S(=O)(NCCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H31N5O2S/c33-35(34,27-17-9-8-16-25(27)23-13-6-5-7-14-23)29-19-10-3-1-2-4-11-20-32-22-26(30-31-32)24-15-12-18-28-21-24/h5-9,12-18,21-22,29H,1-4,10-11,19-20H2
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n/an/a 47n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515542
PNG
(CHEMBL4569066)
Show SMILES O=C(NCCCCCCCn1cc(nn1)-c1cccnc1)c1ccccc1-n1cc(CN2CCOCC2)nn1
Show InChI InChI=1S/C28H35N9O2/c38-28(25-10-4-5-11-27(25)37-21-24(31-34-37)20-35-15-17-39-18-16-35)30-13-6-2-1-3-7-14-36-22-26(32-33-36)23-9-8-12-29-19-23/h4-5,8-12,19,21-22H,1-3,6-7,13-18,20H2,(H,30,38)
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n/an/a 50n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236218
PNG
(CHEMBL4094769)
Show SMILES O=C(CCCCCCCc1cc(on1)-c1cccnc1)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C28H29N3O2/c32-28(30-26-17-10-9-16-25(26)22-12-5-4-6-13-22)18-8-3-1-2-7-15-24-20-27(33-31-24)23-14-11-19-29-21-23/h4-6,9-14,16-17,19-21H,1-3,7-8,15,18H2,(H,30,32)
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Universit£ degli Studi del Piemonte Orientale"A. Avogadro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


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



Forma Therapeutics, Inc.

Curated by ChEMBL


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


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


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


(Mus musculus)
BDBM50515553
PNG
(CHEMBL4567518)
Show SMILES OCCN(CCO)Cc1cn(nn1)-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C28H37N9O3/c38-17-15-35(16-18-39)20-24-21-37(34-31-24)27-11-5-4-10-25(27)28(40)30-13-6-2-1-3-7-14-36-22-26(32-33-36)23-9-8-12-29-19-23/h4-5,8-12,19,21-22,38-39H,1-3,6-7,13-18,20H2,(H,30,40)
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n/an/a 74n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515550
PNG
(CHEMBL4462010)
Show SMILES NC(=O)c1ccccc1-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C28H30N6O2/c29-27(35)24-14-6-4-12-22(24)23-13-5-7-15-25(23)28(36)31-17-8-2-1-3-9-18-34-20-26(32-33-34)21-11-10-16-30-19-21/h4-7,10-16,19-20H,1-3,8-9,17-18H2,(H2,29,35)(H,31,36)
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n/an/a 88n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50236215
PNG
(CHEMBL4087071)
Show SMILES O=C(CCCCCCCc1nnc([nH]1)-c1cccnc1)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H29N5O/c33-26(29-24-16-10-9-15-23(24)21-12-5-4-6-13-21)18-8-3-1-2-7-17-25-30-27(32-31-25)22-14-11-19-28-20-22/h4-6,9-16,19-20H,1-3,7-8,17-18H2,(H,29,33)(H,30,31,32)
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n/an/a 269n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT...


J Med Chem 60: 1768-1792 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01392
BindingDB Entry DOI: 10.7270/Q2TQ63TK
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515554
PNG
(CHEMBL4561248)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C28H29N5O3/c34-27(25-14-5-4-13-24(25)21-10-8-11-22(18-21)28(35)36)30-16-6-2-1-3-7-17-33-20-26(31-32-33)23-12-9-15-29-19-23/h4-5,8-15,18-20H,1-3,6-7,16-17H2,(H,30,34)(H,35,36)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515555
PNG
(CHEMBL4070645)
Show SMILES [O-][n+]1cccc(c1)-c1cn(CCCCCCCNC(=O)c2ccccc2-c2ccccc2)nn1
Show InChI InChI=1S/C27H29N5O2/c33-27(25-16-8-7-15-24(25)22-12-5-4-6-13-22)28-17-9-2-1-3-10-18-31-21-26(29-30-31)23-14-11-19-32(34)20-23/h4-8,11-16,19-21H,1-3,9-10,17-18H2,(H,28,33)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50515549
PNG
(CHEMBL4555772)
Show SMILES OC(=O)c1ccc(cc1)-c1ccccc1C(=O)NCCCCCCCn1cc(nn1)-c1cccnc1
Show InChI InChI=1S/C28H29N5O3/c34-27(25-11-5-4-10-24(25)21-12-14-22(15-13-21)28(35)36)30-17-6-2-1-3-7-18-33-20-26(31-32-33)23-9-8-16-29-19-23/h4-5,8-16,19-20H,1-3,6-7,17-18H2,(H,30,34)(H,35,36)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measure...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111576
BindingDB Entry DOI: 10.7270/Q22R3W15
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Mus musculus)
BDBM50011266
PNG
(CHEMBL3260358)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C21H15F3N4O3S/c22-21(23,24)16-2-1-3-18(9-16)32(30,31)17-6-4-13(5-7-17)10-26-20(29)15-8-14-12-27-28-19(14)25-11-15/h1-9,11-12H,10H2,(H,26,29)(H,25,27,28)
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n/an/an/an/a 70n/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


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


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


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


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



Forma Therapeutics, Inc.

Curated by ChEMBL


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


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


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