BindingDB logo
myBDB logout

PubMed code 24279990

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


(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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50444654
PNG
(CHEMBL3098517)
Show SMILES O=S(=O)(c1ccc(CNC(NC#N)=Nc2ccncc2)cc1)c1ccc(nc1)N1CCOCC1
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50444652
PNG
(CHEMBL3098516)
Show SMILES O=S(=O)(c1ccc(CNC(NC#N)=Nc2ccncc2)cc1)c1cccnc1
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50444649
PNG
(CHEMBL3098608)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(NC#N)=Nc2ccncc2)cc1
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50444647
PNG
(CHEMBL3098611)
Show SMILES O=S(=O)(c1ccc(CNC(NC#N)=Nc2ccncc2)cc1)c1cccc2cccnc12
Show InChI InChI=1S/C23H18N6O2S/c24-16-28-23(29-19-10-13-25-14-11-19)27-15-17-6-8-20(9-7-17)32(30,31)21-5-1-3-18-4-2-12-26-22(18)21/h1-14H,15H2,(H2,25,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/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))
BDBM50444645
PNG
(CHEMBL3098609)
Show SMILES FC(F)(F)Oc1cccc(c1)S(=O)(=O)c1ccc(CNC(NC#N)=Nc2ccncc2)cc1
Show InChI InChI=1S/C21H16F3N5O3S/c22-21(23,24)32-17-2-1-3-19(12-17)33(30,31)18-6-4-15(5-7-18)13-27-20(28-14-25)29-16-8-10-26-11-9-16/h1-12H,13H2,(H2,26,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40n/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))
BDBM50444646
PNG
(CHEMBL3098513)
Show SMILES O=S(=O)(N1CC2CCC(C1)O2)c1ccc(CNC(NC#N)=Nc2cccnc2)cc1
Show InChI InChI=1S/C20H22N6O3S/c21-14-24-20(25-16-2-1-9-22-11-16)23-10-15-3-7-19(8-4-15)30(27,28)26-12-17-5-6-18(13-26)29-17/h1-4,7-9,11,17-18H,5-6,10,12-13H2,(H2,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40n/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))
BDBM50444644
PNG
(CHEMBL3098515)
Show SMILES O=S(=O)(C1CCCCC1)c1ccc(CNC(NC#N)=Nc2ccncc2)cc1
Show InChI InChI=1S/C20H23N5O2S/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/h6-13,18H,1-5,14H2,(H2,22,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/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))
BDBM50444643
PNG
(CHEMBL3098514)
Show SMILES O=S(=O)(Cc1ccccc1)c1ccc(CNC(NC#N)=Nc2ccncc2)cc1
Show InChI InChI=1S/C21H19N5O2S/c22-16-25-21(26-19-10-12-23-13-11-19)24-14-17-6-8-20(9-7-17)29(27,28)15-18-4-2-1-3-5-18/h1-13H,14-15H2,(H2,23,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.5n/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))
BDBM50438986
PNG
(CHEMBL2419503)
Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccccc1)c1cc2cnccc2[nH]1
Show InChI InChI=1S/C21H17N3O3S/c25-21(20-12-16-14-22-11-10-19(16)24-20)23-13-15-6-8-18(9-7-15)28(26,27)17-4-2-1-3-5-17/h1-12,14,24H,13H2,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 29n/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
3D
3D Structure (crystal)
* indicates data uncertainty>20%