Found 195 hits with Last Name = 'crocker' and Initial = 'l' 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
(Homo sapiens (Human)) | BDBM50448625
(CHEMBL3127508)Show SMILES CC(C)(O)Cn1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H24N4O4S/c1-22(2,28)14-26-13-18(12-24-26)31(29,30)17-7-5-16(6-8-17)25-21(27)20-10-19(20)15-4-3-9-23-11-15/h3-9,11-13,19-20,28H,10,14H2,1-2H3,(H,25,27)/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435350
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50438939
(CHEMBL2420626)Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3s2)cc1 Show InChI InChI=1S/C21H14F2N2O3S2/c22-15-8-16(23)10-18(9-15)30(27,28)17-3-1-13(2-4-17)11-25-21(26)19-7-14-5-6-24-12-20(14)29-19/h1-10,12H,11H2,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(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
(Homo sapiens (Human)) | BDBM81395
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
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
(Homo sapiens (Human)) | BDBM50448623
(CHEMBL3127493)Show SMILES CC(C)n1cc(c(C)n1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H24N4O3S/c1-14(2)26-13-21(15(3)25-26)30(28,29)18-8-6-17(7-9-18)24-22(27)20-11-19(20)16-5-4-10-23-12-16/h4-10,12-14,19-20H,11H2,1-3H3,(H,24,27)/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448621
(CHEMBL3127521)Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)c1ccccc1)[C@H]1C[C@@H]1c1cccnc1 |r| Show InChI InChI=1S/C21H18N2O3S/c24-21(20-13-19(20)15-5-4-12-22-14-15)23-16-8-10-18(11-9-16)27(25,26)17-6-2-1-3-7-17/h1-12,14,19-20H,13H2,(H,23,24)/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.90 | 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
(Homo sapiens (Human)) | BDBM50448617
(CHEMBL3127500)Show SMILES CS(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H20N2O5S2/c1-30(26,27)18-5-2-6-19(12-18)31(28,29)17-9-7-16(8-10-17)24-22(25)21-13-20(21)15-4-3-11-23-14-15/h2-12,14,20-21H,13H2,1H3,(H,24,25)/t20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448632
(CHEMBL3127497)Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)[C@@H]1C[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C25H31N3O2/c29-24(23-17-22(23)21-10-6-13-26-18-21)27-14-5-4-7-19-11-15-28(16-12-19)25(30)20-8-2-1-3-9-20/h1-3,6,8-10,13,18-19,22-23H,4-5,7,11-12,14-17H2,(H,27,29)/t22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448612
(CHEMBL3127510)Show SMILES CC(C)n1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C21H22N4O3S/c1-14(2)25-13-18(12-23-25)29(27,28)17-7-5-16(6-8-17)24-21(26)20-10-19(20)15-4-3-9-22-11-15/h3-9,11-14,19-20H,10H2,1-2H3,(H,24,26)/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060820
(CHEMBL3394727)Show SMILES CN=S(=O)(c1ccccc1)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 Show InChI InChI=1S/C22H19N3O3S/c1-23-29(27,18-5-3-2-4-6-18)19-9-7-16(8-10-19)14-25-22(26)20-13-17-11-12-24-15-21(17)28-20/h2-13,15H,14H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448614
(CHEMBL3127507)Show SMILES CCCn1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C21H22N4O3S/c1-2-10-25-14-18(13-23-25)29(27,28)17-7-5-16(6-8-17)24-21(26)20-11-19(20)15-4-3-9-22-12-15/h3-9,12-14,19-20H,2,10-11H2,1H3,(H,24,26)/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448611
(CHEMBL3127494)Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)c1cnn(c1)C1CCOCC1)[C@@H]1C[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C23H24N4O4S/c28-23(22-12-21(22)16-2-1-9-24-13-16)26-17-3-5-19(6-4-17)32(29,30)20-14-25-27(15-20)18-7-10-31-11-8-18/h1-6,9,13-15,18,21-22H,7-8,10-12H2,(H,26,28)/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060764
(CHEMBL3394740 | US9458172, 45)Show SMILES CC(C)n1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3s2)nc1 Show InChI InChI=1S/C20H19N5O3S2/c1-13(2)25-12-17(10-24-25)30(27,28)16-4-3-15(22-9-16)8-23-20(26)18-7-14-5-6-21-11-19(14)29-18/h3-7,9-13H,8H2,1-2H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448615
(CHEMBL3127506)Show SMILES CCCn1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C21H22N4O3S/c1-2-10-25-14-18(13-23-25)29(27,28)17-7-5-16(6-8-17)24-21(26)20-11-19(20)15-4-3-9-22-12-15/h3-9,12-14,19-20H,2,10-11H2,1H3,(H,24,26)/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448631
(CHEMBL3127498)Show SMILES Clc1ccc(OCCCCCCNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C21H25ClN2O2/c22-17-7-9-18(10-8-17)26-13-4-2-1-3-12-24-21(25)20-14-19(20)16-6-5-11-23-15-16/h5-11,15,19-20H,1-4,12-14H2,(H,24,25)/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.60 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060763
(CHEMBL3394741 | US9458172, 61)Show SMILES CCCn1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1 Show InChI InChI=1S/C20H19N5O4S/c1-2-7-25-13-17(11-24-25)30(27,28)16-4-3-15(22-10-16)9-23-20(26)18-8-14-5-6-21-12-19(14)29-18/h3-6,8,10-13H,2,7,9H2,1H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060823
(CHEMBL3394724)Show SMILES CC(C)CN1CCC(CC1)[S+]([O-])c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 Show InChI InChI=1S/C24H29N3O3S/c1-17(2)16-27-11-8-21(9-12-27)31(29)20-5-3-18(4-6-20)14-26-24(28)22-13-19-7-10-25-15-23(19)30-22/h3-7,10,13,15,17,21H,8-9,11-12,14,16H2,1-2H3,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448619
(CHEMBL3127525)Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CC2CCC(C1)O2)[C@@H]1C[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C21H23N3O4S/c25-21(20-10-19(20)14-2-1-9-22-11-14)23-15-3-7-18(8-4-15)29(26,27)24-12-16-5-6-17(13-24)28-16/h1-4,7-9,11,16-17,19-20H,5-6,10,12-13H2,(H,23,25)/t16?,17?,19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448627
(CHEMBL3127504)Show SMILES CCn1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C20H20N4O3S/c1-2-24-13-17(12-22-24)28(26,27)16-7-5-15(6-8-16)23-20(25)19-10-18(19)14-4-3-9-21-11-14/h3-9,11-13,18-19H,2,10H2,1H3,(H,23,25)/t18-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448616
(CHEMBL3127501)Show SMILES FC(F)(F)Oc1cccc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H17F3N2O4S/c23-22(24,25)31-16-4-1-5-18(11-16)32(29,30)17-8-6-15(7-9-17)27-21(28)20-12-19(20)14-3-2-10-26-13-14/h1-11,13,19-20H,12H2,(H,27,28)/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.5 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060818
(CHEMBL3394729)Show SMILES CC(C)n1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 Show InChI InChI=1S/C21H20N4O4S/c1-14(2)25-13-18(11-24-25)30(27,28)17-5-3-15(4-6-17)10-23-21(26)19-9-16-7-8-22-12-20(16)29-19/h3-9,11-14H,10H2,1-2H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060817
(CHEMBL3394730)Show SMILES CCCn1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 Show InChI InChI=1S/C21H20N4O4S/c1-2-9-25-14-18(12-24-25)30(27,28)17-5-3-15(4-6-17)11-23-21(26)19-10-16-7-8-22-13-20(16)29-19/h3-8,10,12-14H,2,9,11H2,1H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060813
(CHEMBL3394734 | US9458172, 5)Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1 Show InChI InChI=1S/C20H13F2N3O4S/c21-13-6-14(22)8-17(7-13)30(27,28)16-2-1-15(24-10-16)9-25-20(26)18-5-12-3-4-23-11-19(12)29-18/h1-8,10-11H,9H2,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060769
(CHEMBL3394736)Show SMILES [O-][S+](c1ccc(CNC(=O)c2cc3ccncc3o2)nc1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C20H13F2N3O3S/c21-13-6-14(22)8-17(7-13)29(27)16-2-1-15(24-10-16)9-25-20(26)18-5-12-3-4-23-11-19(12)28-18/h1-8,10-11H,9H2,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50438945
(CHEMBL2420620)Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1 Show InChI InChI=1S/C21H15F2N3O3S/c22-15-8-16(23)10-18(9-15)30(28,29)17-3-1-13(2-4-17)11-25-21(27)20-7-14-12-24-6-5-19(14)26-20/h1-10,12,26H,11H2,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448629
(CHEMBL3127502)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H17F3N2O3S/c23-22(24,25)15-4-1-5-18(11-15)31(29,30)17-8-6-16(7-9-17)27-21(28)20-12-19(20)14-3-2-10-26-13-14/h1-11,13,19-20H,12H2,(H,27,28)/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448626
(CHEMBL3127505)Show SMILES FC(F)(F)Cn1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C20H17F3N4O3S/c21-20(22,23)12-27-11-16(10-25-27)31(29,30)15-5-3-14(4-6-15)26-19(28)18-8-17(18)13-2-1-7-24-9-13/h1-7,9-11,17-18H,8,12H2,(H,26,28)/t17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448624
(CHEMBL3127511)Show SMILES CC(C)n1ncc(c1C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H24N4O3S/c1-14(2)26-15(3)21(13-24-26)30(28,29)18-8-6-17(7-9-18)25-22(27)20-11-19(20)16-5-4-10-23-12-16/h4-10,12-14,19-20H,11H2,1-3H3,(H,25,27)/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060819
(CHEMBL3394728)Show SMILES Cc1ccc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 Show InChI InChI=1S/C21H17N3O4S/c1-14-2-5-18(12-23-14)29(26,27)17-6-3-15(4-7-17)11-24-21(25)19-10-16-8-9-22-13-20(16)28-19/h2-10,12-13H,11H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060825
(CHEMBL3394722 | US10696692, Example 213)Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)C1CCN(CC1)C1CCOCC1)c1cc2cnccc2[nH]1 Show InChI InChI=1S/C25H30N4O4S/c30-25(24-15-19-17-26-10-5-23(19)28-24)27-16-18-1-3-21(4-2-18)34(31,32)22-6-11-29(12-7-22)20-8-13-33-14-9-20/h1-5,10,15,17,20,22,28H,6-9,11-14,16H2,(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448630
(CHEMBL3127499)Show SMILES Cc1ccc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c1-14-4-7-18(13-23-14)28(26,27)17-8-5-16(6-9-17)24-21(25)20-11-19(20)15-3-2-10-22-12-15/h2-10,12-13,19-20H,11H2,1H3,(H,24,25)/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448628
(CHEMBL3127503)Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C21H16F2N2O3S/c22-14-8-15(23)10-18(9-14)29(27,28)17-5-3-16(4-6-17)25-21(26)20-11-19(20)13-2-1-7-24-12-13/h1-10,12,19-20H,11H2,(H,25,26)/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50438942
(CHEMBL2420623)Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 Show InChI InChI=1S/C21H14F2N2O4S/c22-15-8-16(23)10-18(9-15)30(27,28)17-3-1-13(2-4-17)11-25-21(26)19-7-14-5-6-24-12-20(14)29-19/h1-10,12H,11H2,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50438976
(CHEMBL2419504)Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)c1ccccc1)c1cc2ccncc2o1 Show InChI InChI=1S/C21H16N2O4S/c24-21(19-12-16-10-11-22-14-20(16)27-19)23-13-15-6-8-18(9-7-15)28(25,26)17-4-2-1-3-5-17/h1-12,14H,13H2,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060814
(CHEMBL3394733 | US9458172, 22)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1 Show InChI InChI=1S/C21H14F3N3O4S/c22-21(23,24)14-2-1-3-16(9-14)32(29,30)17-5-4-15(26-11-17)10-27-20(28)18-8-13-6-7-25-12-19(13)31-18/h1-9,11-12H,10H2,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060826
(CHEMBL3394721 | US10696692, Example 205)Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)C1CCN(CC1)C1CCOCC1)c1cc2ccncc2o1 Show InChI InChI=1S/C25H29N3O5S/c29-25(23-15-19-5-10-26-17-24(19)33-23)27-16-18-1-3-21(4-2-18)34(30,31)22-6-11-28(12-7-22)20-8-13-32-14-9-20/h1-5,10,15,17,20,22H,6-9,11-14,16H2,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060827
(CHEMBL3394720 | US10696692, Example 250)Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)C1CCN(CC1)C1COC1)c1cc2ccncc2o1 Show InChI InChI=1S/C23H25N3O5S/c27-23(21-11-17-5-8-24-13-22(17)31-21)25-12-16-1-3-19(4-2-16)32(28,29)20-6-9-26(10-7-20)18-14-30-15-18/h1-5,8,11,13,18,20H,6-7,9-10,12,14-15H2,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060822
(CHEMBL3394725)Show SMILES [O-][S+](C1CCN(CC1)C1CCOCC1)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 Show InChI InChI=1S/C25H29N3O4S/c29-25(23-15-19-5-10-26-17-24(19)32-23)27-16-18-1-3-21(4-2-18)33(30)22-6-11-28(12-7-22)20-8-13-31-14-9-20/h1-5,10,15,17,20,22H,6-9,11-14,16H2,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060832
(CHEMBL3394715 | US10696692, Example 11)Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1cc2ccncc2s1 Show InChI InChI=1S/C19H19N3O4S2/c23-19(17-11-15-5-6-20-13-18(15)27-17)21-12-14-1-3-16(4-2-14)28(24,25)22-7-9-26-10-8-22/h1-6,11,13H,7-10,12H2,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448638
(CHEMBL3127524)Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)[C@@H]1C[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C19H21N3O4S/c23-19(18-12-17(18)14-2-1-7-20-13-14)21-15-3-5-16(6-4-15)27(24,25)22-8-10-26-11-9-22/h1-7,13,17-18H,8-12H2,(H,21,23)/t17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060824
(CHEMBL3394723)Show SMILES CC(C)N1CCC(CC1)[S+]([O-])c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 Show InChI InChI=1S/C23H27N3O3S/c1-16(2)26-11-8-20(9-12-26)30(28)19-5-3-17(4-6-19)14-25-23(27)21-13-18-7-10-24-15-22(18)29-21/h3-7,10,13,15-16,20H,8-9,11-12,14H2,1-2H3,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060824
(CHEMBL3394723)Show SMILES CC(C)N1CCC(CC1)[S+]([O-])c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 Show InChI InChI=1S/C23H27N3O3S/c1-16(2)26-11-8-20(9-12-26)30(28)19-5-3-17(4-6-19)14-25-23(27)21-13-18-7-10-24-15-22(18)29-21/h3-7,10,13,15-16,20H,8-9,11-12,14H2,1-2H3,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448644
(CHEMBL3127513 | US10696692, Example 149)Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1COC1)c1cc2ccncc2o1 Show InChI InChI=1S/C22H24N4O5S/c27-22(20-11-17-5-6-23-13-21(17)31-20)24-12-16-1-3-19(4-2-16)32(28,29)26-9-7-25(8-10-26)18-14-30-15-18/h1-6,11,13,18H,7-10,12,14-15H2,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060834
(CHEMBL3394713 | US10696692, Example 8)Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1cc2ccncc2o1 Show InChI InChI=1S/C19H19N3O5S/c23-19(17-11-15-5-6-20-13-18(15)27-17)21-12-14-1-3-16(4-2-14)28(24,25)22-7-9-26-10-8-22/h1-6,11,13H,7-10,12H2,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060767
(CHEMBL3394737 | US9458172, 94)Show SMILES Cc1ccc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1 Show InChI InChI=1S/C20H16N4O4S/c1-13-2-4-16(10-22-13)29(26,27)17-5-3-15(23-11-17)9-24-20(25)18-8-14-6-7-21-12-19(14)28-18/h2-8,10-12H,9H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50448618
(CHEMBL3127526)Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)C1CCOCC1)[C@@H]1C[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C20H22N2O4S/c23-20(19-12-18(19)14-2-1-9-21-13-14)22-15-3-5-16(6-4-15)27(24,25)17-7-10-26-11-8-17/h1-6,9,13,17-19H,7-8,10-12H2,(H,22,23)/t18-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060766
(CHEMBL3394738 | US9458172, 62)Show SMILES CC(C)n1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1 Show InChI InChI=1S/C20H19N5O4S/c1-13(2)25-12-17(10-24-25)30(27,28)16-4-3-15(22-9-16)8-23-20(26)18-7-14-5-6-21-11-19(14)29-18/h3-7,9-13H,8H2,1-2H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060812
(CHEMBL3394735 | US9458172, 3)Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)nc1 Show InChI InChI=1S/C20H14F2N4O3S/c21-13-6-14(22)8-17(7-13)30(28,29)16-2-1-15(24-11-16)10-25-20(27)19-5-12-9-23-4-3-18(12)26-19/h1-9,11,26H,10H2,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50060828
(CHEMBL3394719 | US10696692, Example 341)Show SMILES CC(C)CN1CCC(CC1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 Show InChI InChI=1S/C24H29N3O4S/c1-17(2)16-27-11-8-21(9-12-27)32(29,30)20-5-3-18(4-6-20)14-26-24(28)22-13-19-7-10-25-15-23(19)31-22/h3-7,10,13,15,17,21H,8-9,11-12,14,16H2,1-2H3,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measure... |
Bioorg Med Chem Lett 25: 529-41 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.026
BindingDB Entry DOI: 10.7270/Q2736SK7 |
More data for this
Ligand-Target Pair | |
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