Found 9 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Nicotinamide phosphoribosyltransferase
(491/491 = 100%)† (Homo sapiens (Human)) | BDBM50438936
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(491/491 = 100%)† (Homo sapiens (Human)) | BDBM50438936
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(491/491 = 100%)† (Homo sapiens (Human)) | BDBM50438936
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
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 | 3D Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(491/491 = 100%)† (Homo sapiens (Human)) | BDBM50438936
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Forma Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based anal... |
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 Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(491/491 = 100%)† (Homo sapiens (Human)) | BDBM50438936
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(467/491 = 95%)† (Rattus norvegicus) | BDBM50438936
(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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Forma Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Inhibition of rat 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 Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(470/491 = 96%)† (Mus musculus) | BDBM50438936
(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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(491/491 = 100%)† (Homo sapiens (Human)) | BDBM50438936
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
Forma Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Inhibition of NAMPT in human PC3 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 Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(470/491 = 96%)† (Mus musculus) | BDBM50438936
(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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/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 Structure (crystal) |