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PubMed code 24164086

Compile data set for download or QSAR
Found 17 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


(Homo sapiens (Human))		BDBM50443803
PNG
(CHEMBL3094250)
Show SMILES O=C(CCCCCCNC(NC#N)=Nc1ccncc1)N(OCCN1CCOCC1)C1CCCCC1 |w:13.13|
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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
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 |w:14.14|
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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50443805
PNG
(CHEMBL3094249)
Show SMILES O=C(CCCCCCNC(NC#N)=Nc1ccncc1)NOC1CCCCC1 |w:13.13|
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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
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 2.20n/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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50443798
PNG
(CHEMBL3094258)
Show SMILES O=S(=O)(CCCCCCNC(NC#N)=Nc1ccncc1)N(CCCN1CCOCC1)C1CCCCC1 |w:14.14|
Show InChI InChI=1S/C26H43N7O3S/c27-23-30-26(31-24-11-14-28-15-12-24)29-13-6-1-2-7-22-37(34,35)33(25-9-4-3-5-10-25)17-8-16-32-18-20-36-21-19-32/h11-12,14-15,25H,1-10,13,16-22H2,(H2,28,29,30,31)
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n/an/a 2.40n/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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50443801
PNG
(CHEMBL3094254)
Show SMILES O=S(=O)(CCCCCCNC(NC#N)=Nc1ccncc1)NOCC1CCCCC1 |w:14.14|
Show InChI InChI=1S/C20H32N6O3S/c21-17-24-20(25-19-10-13-22-14-11-19)23-12-6-1-2-7-15-30(27,28)26-29-16-18-8-4-3-5-9-18/h10-11,13-14,18,26H,1-9,12,15-16H2,(H2,22,23,24,25)
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n/an/a 2.40n/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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50443799
PNG
(CHEMBL3094257)
Show SMILES FCCN(OCC1CCCCC1)S(=O)(=O)CCCCCCNC(NC#N)=Nc1ccncc1 |w:26.27|
Show InChI InChI=1S/C22H35FN6O3S/c23-12-16-29(32-18-20-8-4-3-5-9-20)33(30,31)17-7-2-1-6-13-26-22(27-19-24)28-21-10-14-25-15-11-21/h10-11,14-15,20H,1-9,12-13,16-18H2,(H2,25,26,27,28)
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n/an/a 3.20n/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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50443796
PNG
(CHEMBL3094229)
Show SMILES O=C1C(NCCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCCC2)C(Nc2ccncc2)C1=O
Show InChI InChI=1S/C28H45N5O6S/c34-27-25(26(28(27)35)31-23-11-14-29-15-12-23)30-13-7-2-1-3-8-22-40(36,37)33(24-9-5-4-6-10-24)39-21-18-32-16-19-38-20-17-32/h11-12,14-15,24-26,30H,1-10,13,16-22H2,(H,29,31)
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n/an/a 3.60n/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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50443802
PNG
(CHEMBL3094251)
Show SMILES O=C(CCCCCCCNC(NC#N)=Nc1ccncc1)N(Cc1ccccc1)OCCN1CCOCC1 |w:14.14|
Show InChI InChI=1S/C28H39N7O3/c29-24-32-28(33-26-12-15-30-16-13-26)31-14-8-3-1-2-7-11-27(36)35(23-25-9-5-4-6-10-25)38-22-19-34-17-20-37-21-18-34/h4-6,9-10,12-13,15-16H,1-3,7-8,11,14,17-23H2,(H2,30,31,32,33)
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n/an/a 4.40n/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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50443793
PNG
(CHEMBL3094236)
Show SMILES O=C(CCCCCCNC(=S)NCc1cccnc1)N(OCCN1CCOCC1)C1CCCCC1
Show InChI InChI=1S/C26H43N5O3S/c32-25(12-6-1-2-7-14-28-26(35)29-22-23-9-8-13-27-21-23)31(24-10-4-3-5-11-24)34-20-17-30-15-18-33-19-16-30/h8-9,13,21,24H,1-7,10-12,14-20,22H2,(H2,28,29,35)
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n/an/a 8.20n/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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50443791
PNG
(CHEMBL3094238)
Show SMILES O=C(NCCCCCCS(=O)(=O)N(CCN1CCOCC1)CC1CCCCC1)NCc1cccnc1
Show InChI InChI=1S/C26H45N5O4S/c32-26(29-22-25-11-8-12-27-21-25)28-13-6-1-2-7-20-36(33,34)31(23-24-9-4-3-5-10-24)15-14-30-16-18-35-19-17-30/h8,11-12,21,24H,1-7,9-10,13-20,22-23H2,(H2,28,29,32)
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n/an/a 12n/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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
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 18n/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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50443797
PNG
(CHEMBL3094224)
Show SMILES O=C1C(NCCCCCCS(=O)(=O)N(CCCN2CCOCC2)Cc2cccnc2)C(Nc2ccncc2)C1=O
Show InChI InChI=1S/C28H40N6O5S/c35-27-25(26(28(27)36)32-24-8-12-29-13-9-24)31-11-3-1-2-4-20-40(37,38)34(22-23-7-5-10-30-21-23)15-6-14-33-16-18-39-19-17-33/h5,7-10,12-13,21,25-26,31H,1-4,6,11,14-20,22H2,(H,29,32)
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n/an/a 23n/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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50443804
PNG
(CHEMBL2417795)
Show SMILES O=C(CCCCCCNC(NC#N)=Nc1ccncc1)N(Cc1ccccc1)OC1CCCCC1 |w:13.13|
Show InChI InChI=1S/C27H36N6O2/c28-22-31-27(32-24-16-19-29-20-17-24)30-18-10-2-1-9-15-26(34)33(21-23-11-5-3-6-12-23)35-25-13-7-4-8-14-25/h3,5-6,11-12,16-17,19-20,25H,1-2,4,7-10,13-15,18,21H2,(H2,29,30,31,32)
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n/an/a 39n/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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50443794
PNG
(CHEMBL3094234)
Show SMILES O=C(NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1)Nc1ccncc1
Show InChI InChI=1S/C24H41N5O5S/c30-24(27-22-10-13-25-14-11-22)26-12-6-1-2-7-21-35(31,32)29(23-8-4-3-5-9-23)34-20-17-28-15-18-33-19-16-28/h10-11,13-14,23H,1-9,12,15-21H2,(H2,25,26,27,30)
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n/an/a 49n/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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50443795
PNG
(CHEMBL3094230)
Show SMILES O=C1C(NCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCCC2)C(Nc2ccncc2)C1=O
Show InChI InChI=1S/C26H41N5O6S/c32-25-23(24(26(25)33)29-21-9-12-27-13-10-21)28-11-5-2-6-20-38(34,35)31(22-7-3-1-4-8-22)37-19-16-30-14-17-36-18-15-30/h9-10,12-13,22-24,28H,1-8,11,14-20H2,(H,27,29)
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n/an/a 50n/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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))		BDBM50443792
PNG
(CHEMBL3094237)
Show SMILES O=C(NCCCCCCS(=O)(=O)N(CCN1CCOCC1)CC1CCCCC1)Nc1ccncc1
Show InChI InChI=1S/C25H43N5O4S/c31-25(28-24-10-13-26-14-11-24)27-12-6-1-2-7-21-35(32,33)30(22-23-8-4-3-5-9-23)16-15-29-17-19-34-20-18-29/h10-11,13-14,23H,1-9,12,15-22H2,(H2,26,27,28,31)
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n/an/a 133n/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)


Article DOI: 10.1021/jm4009949
BindingDB Entry DOI: 10.7270/Q2CV4K6W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%