Found 81 hits Enz. Inhib. hit(s) with all data for entry = 50043085 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)) | BDBM50435348
(CHEMBL2391572 | US11279687, Compound 439)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H17N3O3S/c23-19(21-14-15-5-4-12-20-13-15)22-16-8-10-18(11-9-16)26(24,25)17-6-2-1-3-7-17/h1-13H,14H2,(H2,21,22,23) | 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 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435771
(CHEMBL2393168)Show SMILES FC(F)(F)C1CCN(CCN1)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 Show InChI InChI=1S/C19H22F3N5O3S/c20-19(21,22)17-7-10-27(11-9-24-17)31(29,30)16-5-3-15(4-6-16)26-18(28)25-13-14-2-1-8-23-12-14/h1-6,8,12,17,24H,7,9-11,13H2,(H2,25,26,28) | 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 | 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 | |
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 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
(Homo sapiens (Human)) | BDBM50435768
(CHEMBL2393171)Show SMILES N[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 |r,wU:4.7,wD:1.0,(20.96,-9.99,;19.63,-10.76,;18.29,-9.99,;16.96,-10.76,;16.97,-12.29,;18.3,-13.06,;19.62,-12.3,;15.64,-13.06,;14.3,-12.29,;13.52,-10.95,;15.07,-10.95,;12.97,-13.07,;12.97,-14.61,;11.63,-15.38,;10.3,-14.6,;8.97,-15.37,;7.63,-14.6,;7.63,-13.06,;6.3,-15.37,;4.96,-14.6,;3.63,-15.37,;3.63,-16.91,;2.3,-17.69,;.95,-16.92,;.96,-15.37,;2.29,-14.6,;10.3,-13.07,;11.62,-12.3,)| Show InChI InChI=1S/C19H25N5O3S/c20-15-3-5-17(6-4-15)24-28(26,27)18-9-7-16(8-10-18)23-19(25)22-13-14-2-1-11-21-12-14/h1-2,7-12,15,17,24H,3-6,13,20H2,(H2,22,23,25)/t15-,17- | 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 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435766
(CHEMBL2393173)Show SMILES O[C@H]1CCC[C@@H](C1)NS(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 |r| Show InChI InChI=1S/C19H24N4O4S/c24-17-5-1-4-16(11-17)23-28(26,27)18-8-6-15(7-9-18)22-19(25)21-13-14-3-2-10-20-12-14/h2-3,6-10,12,16-17,23-24H,1,4-5,11,13H2,(H2,21,22,25)/t16-,17-/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 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435784
(CHEMBL2393190 | US11279687, Compound 134)Show SMILES C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 |r| Show InChI InChI=1S/C19H24N4O4S/c1-14-12-23(13-15(2)27-14)28(25,26)18-7-5-17(6-8-18)22-19(24)21-11-16-4-3-9-20-10-16/h3-10,14-15H,11-13H2,1-2H3,(H2,21,22,24)/t14-,15+ | 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 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435776
(CHEMBL2393164)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CCC2(C1)CCNCC2 Show InChI InChI=1S/C21H27N5O3S/c27-20(24-15-17-2-1-10-23-14-17)25-18-3-5-19(6-4-18)30(28,29)26-13-9-21(16-26)7-11-22-12-8-21/h1-6,10,14,22H,7-9,11-13,15-16H2,(H2,24,25,27) | 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 | 5 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435777
(CHEMBL2393163)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CCC2(CCNC2)CC1 Show InChI InChI=1S/C21H27N5O3S/c27-20(24-15-17-2-1-10-22-14-17)25-18-3-5-19(6-4-18)30(28,29)26-12-8-21(9-13-26)7-11-23-16-21/h1-6,10,14,23H,7-9,11-13,15-16H2,(H2,24,25,27) | 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 | 6 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435796
(CHEMBL2393176)Show SMILES Cc1cncc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C20H19N3O3S/c1-15-11-16(13-21-12-15)14-22-20(24)23-17-7-9-19(10-8-17)27(25,26)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H2,22,23,24) | 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 | 7 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435770
(CHEMBL2393169)Show SMILES F[C@@H]1CNCC[C@H]1NS(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 |r| Show InChI InChI=1S/C18H22FN5O3S/c19-16-12-21-9-7-17(16)24-28(26,27)15-5-3-14(4-6-15)23-18(25)22-11-13-2-1-8-20-10-13/h1-6,8,10,16-17,21,24H,7,9,11-12H2,(H2,22,23,25)/t16-,17-/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 | 8 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435767
(CHEMBL2393172)Show SMILES O[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 |r,wU:4.7,wD:1.0,(41.9,-8.07,;40.57,-8.84,;39.23,-8.08,;37.9,-8.85,;37.91,-10.37,;39.24,-11.15,;40.56,-10.38,;36.58,-11.15,;35.24,-10.38,;34.46,-9.04,;36.01,-9.03,;33.91,-11.15,;33.91,-12.7,;32.58,-13.47,;31.24,-12.69,;29.91,-13.46,;28.57,-12.69,;28.57,-11.15,;27.24,-13.46,;25.9,-12.69,;24.57,-13.46,;24.57,-15,;23.24,-15.77,;21.9,-15,;21.9,-13.46,;23.23,-12.69,;31.24,-11.16,;32.57,-10.38,)| Show InChI InChI=1S/C19H24N4O4S/c24-17-7-3-16(4-8-17)23-28(26,27)18-9-5-15(6-10-18)22-19(25)21-13-14-2-1-11-20-12-14/h1-2,5-6,9-12,16-17,23-24H,3-4,7-8,13H2,(H2,21,22,25)/t16-,17- | 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
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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435782
(CHEMBL2393158 | US11279687, Compound 13)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1C2CCC1COC2 Show InChI InChI=1S/C19H22N4O4S/c24-19(21-11-14-2-1-9-20-10-14)22-15-3-7-18(8-4-15)28(25,26)23-16-5-6-17(23)13-27-12-16/h1-4,7-10,16-17H,5-6,11-13H2,(H2,21,22,24) | 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 | 10 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435772
(CHEMBL2393167)Show SMILES CC1CCN(CCN1)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 Show InChI InChI=1S/C19H25N5O3S/c1-15-8-11-24(12-10-21-15)28(26,27)18-6-4-17(5-7-18)23-19(25)22-14-16-3-2-9-20-13-16/h2-7,9,13,15,21H,8,10-12,14H2,1H3,(H2,22,23,25) | 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 | 11 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435788
(CHEMBL2393186)Show SMILES O=C(NCc1cccnn1)Nc1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H16N4O3S/c23-18(19-13-15-5-4-12-20-22-15)21-14-8-10-17(11-9-14)26(24,25)16-6-2-1-3-7-16/h1-12H,13H2,(H2,19,21,23) | 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 | 12 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435794
(CHEMBL2393178)Show SMILES Cc1ccncc1CNC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H19N3O3S/c1-15-11-12-21-13-16(15)14-22-20(24)23-17-7-9-19(10-8-17)27(25,26)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H2,22,23,24) | 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 | 12 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435790
(CHEMBL2393182)Show SMILES Clc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1 Show InChI InChI=1S/C19H16ClN3O3S/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,(H2,22,23,24) | 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 | 13 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435789
(CHEMBL2393185)Show SMILES Fc1cncc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C19H16FN3O3S/c20-15-10-14(11-21-13-15)12-22-19(24)23-16-6-8-18(9-7-16)27(25,26)17-4-2-1-3-5-17/h1-11,13H,12H2,(H2,22,23,24) | 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 | 13 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435785
(CHEMBL2393189)Show SMILES Nc1ncc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1 Show InChI InChI=1S/C18H17N5O3S/c19-17-20-10-13(11-21-17)12-22-18(24)23-14-6-8-16(9-7-14)27(25,26)15-4-2-1-3-5-15/h1-11H,12H2,(H2,19,20,21)(H2,22,23,24) | 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 | 14 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435778
(CHEMBL2393162)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CCC2(CCCN2)CC1 Show InChI InChI=1S/C21H27N5O3S/c27-20(23-16-17-3-1-11-22-15-17)25-18-4-6-19(7-5-18)30(28,29)26-13-9-21(10-14-26)8-2-12-24-21/h1,3-7,11,15,24H,2,8-10,12-14,16H2,(H2,23,25,27) | 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 | 27 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435359
(CHEMBL2391567 | US11279687, Compound 46)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C17H20N4O4S/c22-17(19-13-14-2-1-7-18-12-14)20-15-3-5-16(6-4-15)26(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H2,19,20,22) | 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 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 | |
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 | 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
(Homo sapiens (Human)) | BDBM50435781
(CHEMBL2393159)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CO2 |r| Show InChI InChI=1S/C18H20N4O4S/c23-18(20-10-13-2-1-7-19-9-13)21-14-3-5-17(6-4-14)27(24,25)22-11-16-8-15(22)12-26-16/h1-7,9,15-16H,8,10-12H2,(H2,20,21,23)/t15-,16-/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 | 33 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435795
(CHEMBL2393177)Show SMILES Cc1cncc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c1 Show InChI InChI=1S/C18H22N4O4S/c1-14-10-15(12-19-11-14)13-20-18(23)21-16-2-4-17(5-3-16)27(24,25)22-6-8-26-9-7-22/h2-5,10-12H,6-9,13H2,1H3,(H2,20,21,23) | 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 | 40 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435775
(CHEMBL2393165)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C18H23N5O3S/c24-18(21-14-15-3-1-8-20-13-15)22-16-4-6-17(7-5-16)27(25,26)23-11-2-9-19-10-12-23/h1,3-8,13,19H,2,9-12,14H2,(H2,21,22,24) | 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 | 45 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435780
(CHEMBL2393160)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CCC11COC1 Show InChI InChI=1S/C18H20N4O4S/c23-17(20-11-14-2-1-8-19-10-14)21-15-3-5-16(6-4-15)27(24,25)22-9-7-18(22)12-26-13-18/h1-6,8,10H,7,9,11-13H2,(H2,20,21,23) | 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 | 47 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435783
(CHEMBL2393191)Show SMILES C[C@@H]1COC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 |r| Show InChI InChI=1S/C19H24N4O4S/c1-14-12-27-13-15(2)23(14)28(25,26)18-7-5-17(6-8-18)22-19(24)21-11-16-4-3-9-20-10-16/h3-10,14-15H,11-13H2,1-2H3,(H2,21,22,24)/t14-,15-/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 | 52 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435798
(CHEMBL2393174)Show SMILES Cc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1 Show InChI InChI=1S/C20H19N3O3S/c1-15-7-8-16(13-21-15)14-22-20(24)23-17-9-11-19(12-10-17)27(25,26)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H2,22,23,24) | 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 | 59 | 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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435348
(CHEMBL2391572 | US11279687, Compound 439)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H17N3O3S/c23-19(21-14-15-5-4-12-20-13-15)22-16-8-10-18(11-9-16)26(24,25)17-6-2-1-3-7-17/h1-13H,14H2,(H2,21,22,23) | 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 | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435789
(CHEMBL2393185)Show SMILES Fc1cncc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C19H16FN3O3S/c20-15-10-14(11-21-13-15)12-22-19(24)23-16-6-8-18(9-7-16)27(25,26)17-4-2-1-3-5-17/h1-11,13H,12H2,(H2,22,23,24) | 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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435773
(CHEMBL2393166)Show SMILES CC1CNCCN(C1)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 Show InChI InChI=1S/C19H25N5O3S/c1-15-11-21-9-10-24(14-15)28(26,27)18-6-4-17(5-7-18)23-19(25)22-13-16-3-2-8-20-12-16/h2-8,12,15,21H,9-11,13-14H2,1H3,(H2,22,23,25) | 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 | 100 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435779
(CHEMBL2393161)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CC2(COC2)C1 Show InChI InChI=1S/C18H20N4O4S/c23-17(20-9-14-2-1-7-19-8-14)21-15-3-5-16(6-4-15)27(24,25)22-10-18(11-22)12-26-13-18/h1-8H,9-13H2,(H2,20,21,23) | 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 | 103 | 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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435771
(CHEMBL2393168)Show SMILES FC(F)(F)C1CCN(CCN1)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 Show InChI InChI=1S/C19H22F3N5O3S/c20-19(21,22)17-7-10-27(11-9-24-17)31(29,30)16-5-3-15(4-6-16)26-18(28)25-13-14-2-1-8-23-12-14/h1-6,8,12,17,24H,7,9-11,13H2,(H2,25,26,28) | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435796
(CHEMBL2393176)Show SMILES Cc1cncc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C20H19N3O3S/c1-15-11-16(13-21-12-15)14-22-20(24)23-17-7-9-19(10-8-17)27(25,26)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H2,22,23,24) | 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 | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435383
(CHEMBL2391551)Show SMILES CC(NC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C20H19N3O3S/c1-15(16-6-5-13-21-14-16)22-20(24)23-17-9-11-19(12-10-17)27(25,26)18-7-3-2-4-8-18/h2-15H,1H3,(H2,22,23,24) | 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 | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435769
(CHEMBL2393170)Show SMILES CCN1CC[C@@H](NS(=O)(=O)c2ccc(NC(=O)NCc3cccnc3)cc2)[C@@H](F)C1 |r| Show InChI InChI=1S/C20H26FN5O3S/c1-2-26-11-9-19(18(21)14-26)25-30(28,29)17-7-5-16(6-8-17)24-20(27)23-13-15-4-3-10-22-12-15/h3-8,10,12,18-19,25H,2,9,11,13-14H2,1H3,(H2,23,24,27)/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 | 142 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435800
(CHEMBL2393192)Show SMILES Cc1ncccc1CNC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H19N3O3S/c1-15-16(6-5-13-21-15)14-22-20(24)23-17-9-11-19(12-10-17)27(25,26)18-7-3-2-4-8-18/h2-13H,14H2,1H3,(H2,22,23,24) | 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 | 146 | 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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435786
(CHEMBL2393188)Show SMILES O=C(NCc1cncnc1)Nc1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H16N4O3S/c23-18(21-12-14-10-19-13-20-11-14)22-15-6-8-17(9-7-15)26(24,25)16-4-2-1-3-5-16/h1-11,13H,12H2,(H2,21,22,23) | 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 | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435359
(CHEMBL2391567 | US11279687, Compound 46)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C17H20N4O4S/c22-17(19-13-14-2-1-7-18-12-14)20-15-3-5-16(6-4-15)26(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H2,19,20,22) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435787
(CHEMBL2393187)Show SMILES O=C(NCc1cnccn1)Nc1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H16N4O3S/c23-18(21-13-15-12-19-10-11-20-15)22-14-6-8-17(9-7-14)26(24,25)16-4-2-1-3-5-16/h1-12H,13H2,(H2,21,22,23) | 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 | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435788
(CHEMBL2393186)Show SMILES O=C(NCc1cccnn1)Nc1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H16N4O3S/c23-18(19-13-15-5-4-12-20-22-15)21-14-8-10-17(11-9-14)26(24,25)16-6-2-1-3-7-16/h1-12H,13H2,(H2,19,21,23) | 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 | 515 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435781
(CHEMBL2393159)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1C[C@@H]2C[C@H]1CO2 |r| Show InChI InChI=1S/C18H20N4O4S/c23-18(20-10-13-2-1-7-19-9-13)21-14-3-5-17(6-4-14)27(24,25)22-11-16-8-15(22)12-26-16/h1-7,9,15-16H,8,10-12H2,(H2,20,21,23)/t15-,16-/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 | 554 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435786
(CHEMBL2393188)Show SMILES O=C(NCc1cncnc1)Nc1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H16N4O3S/c23-18(21-12-14-10-19-13-20-11-14)22-15-6-8-17(9-7-15)26(24,25)16-4-2-1-3-5-16/h1-11,13H,12H2,(H2,21,22,23) | 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 | 600 | 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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435783
(CHEMBL2393191)Show SMILES C[C@@H]1COC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 |r| Show InChI InChI=1S/C19H24N4O4S/c1-14-12-27-13-15(2)23(14)28(25,26)18-7-5-17(6-8-18)22-19(24)21-11-16-4-3-9-20-10-16/h3-10,14-15H,11-13H2,1-2H3,(H2,21,22,24)/t14-,15-/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 | 601 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435795
(CHEMBL2393177)Show SMILES Cc1cncc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c1 Show InChI InChI=1S/C18H22N4O4S/c1-14-10-15(12-19-11-14)13-20-18(23)21-16-2-4-17(5-3-16)27(24,25)22-6-8-26-9-7-22/h2-5,10-12H,6-9,13H2,1H3,(H2,20,21,23) | 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 | 644 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435791
(CHEMBL2393181)Show SMILES COc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1 Show InChI InChI=1S/C20H19N3O4S/c1-27-19-12-7-15(13-21-19)14-22-20(24)23-16-8-10-18(11-9-16)28(25,26)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H2,22,23,24) | 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 | 680 | 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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435784
(CHEMBL2393190 | US11279687, Compound 134)Show SMILES C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 |r| Show InChI InChI=1S/C19H24N4O4S/c1-14-12-23(13-15(2)27-14)28(25,26)18-7-5-17(6-8-18)22-19(24)21-11-16-4-3-9-20-10-16/h3-10,14-15H,11-13H2,1-2H3,(H2,21,22,24)/t14-,15+ | 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 | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435772
(CHEMBL2393167)Show SMILES CC1CCN(CCN1)S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 Show InChI InChI=1S/C19H25N5O3S/c1-15-8-11-24(12-10-21-15)28(26,27)18-6-4-17(5-7-18)23-19(25)22-14-16-3-2-9-20-13-16/h2-7,9,13,15,21H,8,10-12,14H2,1H3,(H2,22,23,25) | 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 | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435383
(CHEMBL2391551)Show SMILES CC(NC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C20H19N3O3S/c1-15(16-6-5-13-21-14-16)22-20(24)23-17-9-11-19(12-10-17)27(25,26)18-7-3-2-4-8-18/h2-15H,1H3,(H2,22,23,24) | 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 | 930 | 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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435782
(CHEMBL2393158 | US11279687, Compound 13)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1C2CCC1COC2 Show InChI InChI=1S/C19H22N4O4S/c24-19(21-11-14-2-1-9-20-10-14)22-15-3-7-18(8-4-15)28(25,26)23-16-5-6-17(23)13-27-12-16/h1-4,7-10,16-17H,5-6,11-13H2,(H2,21,22,24) | 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 | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50435780
(CHEMBL2393160)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CCC11COC1 Show InChI InChI=1S/C18H20N4O4S/c23-17(20-11-14-2-1-8-19-10-14)21-15-3-5-16(6-4-15)27(24,25)22-9-7-18(22)12-26-13-18/h1-6,8,10H,7,9,11-13H2,(H2,20,21,23) | 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 | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins |
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 | |
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