Found 5 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)) | BDBM50435774
(CHEMBL2393183 | US11279687, Compound 204)Show SMILES Nc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1 Show InChI InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo... |
J Med Chem 57: 770-92 (2014)
Article DOI: 10.1021/jm4015108
BindingDB Entry DOI: 10.7270/Q2BC412B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(491/491 = 100%)†
(Homo sapiens (Human)) | BDBM50435774
(CHEMBL2393183 | US11279687, Compound 204)Show SMILES Nc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1 Show InChI InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NAMPT (unknown origin) assessed as NAM conversion to NMN preincubated for 15 mins prior to substrate addition measured after 30 mins by... |
Bioorg Med Chem Lett 23: 3531-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.040
BindingDB Entry DOI: 10.7270/Q2DJ5H1D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(491/491 = 100%)†
(Homo sapiens (Human)) | BDBM50435774
(CHEMBL2393183 | US11279687, Compound 204)Show SMILES Nc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1 Show InChI InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3 | 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
(491/491 = 100%)†
(Homo sapiens (Human)) | BDBM50435774
(CHEMBL2393183 | US11279687, Compound 204)Show SMILES Nc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1 Show InChI InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of NAMPT in human A2780 cells assessed as reduction in NAD level after 48 hrs by mass spectrophotometric analysis |
Bioorg Med Chem Lett 23: 3531-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.04.040
BindingDB Entry DOI: 10.7270/Q2DJ5H1D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(491/491 = 100%)†
(Homo sapiens (Human)) | BDBM50435774
(CHEMBL2393183 | US11279687, Compound 204)Show SMILES Nc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1 Show InChI InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 70 | 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) |
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