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PubMed code 28165742

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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)		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)		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


(Homo sapiens (Human))		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 4.90n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human Jurkat T cells assessed as reduction in NAD levels

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


(Homo sapiens (Human))		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 6.70n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human Jurkat T cells assessed as reduction in NAD levels

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


(Homo sapiens (Human))		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 7.80n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of NAMPT in human Jurkat T cells assessed as reduction in NAD levels

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)		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)		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)		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)		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)		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)		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)		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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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
* indicates data uncertainty>20%