Found 247 hits of 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
(Homo sapiens (Human)) | BDBM50202721
(CHEMBL3968268 | US10730889, Example 399 | US114857...)Show SMILES CC1(CC(=O)N2CCC3(CC3CNC(=O)N3Cc4ccncc4C3)CC2)CCOCC1 Show InChI InChI=1S/C24H34N4O3/c1-23(5-10-31-11-6-23)13-21(29)27-8-3-24(4-9-27)12-20(24)15-26-22(30)28-16-18-2-7-25-14-19(18)17-28/h2,7,14,20H,3-6,8-13,15-17H2,1H3,(H,26,30) | 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 | 0.400 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202656
(CHEMBL3916438 | US10730889, Example 419 | US114857...)Show SMILES CC1(COC1)OC(=O)N1CCC2(C[C@@H]2CNC(=O)N2Cc3ccncc3C2)CC1 |r| Show InChI InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(H,23,26)/t17-/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 | 0.600 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202639
(CHEMBL3983716 | US10730889, Example 350 | US114857...)Show SMILES CC1(COC1)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(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 | 1 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202642
(CHEMBL3948584)Show SMILES CC(C)(C)OC(=O)N1CCC2(C[C@@H]2CNC(=O)N2Cc3ccncc3C2)CC1 |r| Show InChI InChI=1S/C21H30N4O3/c1-20(2,3)28-19(27)24-8-5-21(6-9-24)10-17(21)12-23-18(26)25-13-15-4-7-22-11-16(15)14-25/h4,7,11,17H,5-6,8-10,12-14H2,1-3H3,(H,23,26)/t17-/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay |
J Med Chem 59: 8345-68 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay |
J Med Chem 59: 8345-68 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(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 | 1 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202656
(CHEMBL3916438 | US10730889, Example 419 | US114857...)Show SMILES CC1(COC1)OC(=O)N1CCC2(C[C@@H]2CNC(=O)N2Cc3ccncc3C2)CC1 |r| Show InChI InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(H,23,26)/t17-/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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NAMPT in human HT1080 cells assessed as decrease in cell viability after 96 hrs by CyQuant-Direct reagent based 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202658
(CHEMBL3893879 | US10730889, Example 49 | US1148574...)Show SMILES CC(C)(C)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C21H30N4O3/c1-20(2,3)28-19(27)24-8-5-21(6-9-24)10-17(21)12-23-18(26)25-13-15-4-7-22-11-16(15)14-25/h4,7,11,17H,5-6,8-10,12-14H2,1-3H3,(H,23,26) | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay |
J Med Chem 59: 8345-68 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202716
(CHEMBL3913883 | US11485745, Example 218)Show SMILES COCC(C)(C)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C22H32N4O4/c1-21(2,15-29-3)30-20(28)25-8-5-22(6-9-25)10-18(22)12-24-19(27)26-13-16-4-7-23-11-17(16)14-26/h4,7,11,18H,5-6,8-10,12-15H2,1-3H3,(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 | 1.60 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM455760
(BDBM50202668 | N-[[6-(2,4-dimethyloxazole-5- carbo...)Show SMILES Cc1nc(C)c(o1)C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C22H27N5O3/c1-14-19(30-15(2)25-14)20(28)26-7-4-22(5-8-26)9-18(22)11-24-21(29)27-12-16-3-6-23-10-17(16)13-27/h3,6,10,18H,4-5,7-9,11-13H2,1-2H3,(H,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202636
(CHEMBL3963163 | US10730889, Example 45 | US1148574...)Show SMILES CC(C)(C)CC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C22H32N4O2/c1-21(2,3)11-19(27)25-8-5-22(6-9-25)10-18(22)13-24-20(28)26-14-16-4-7-23-12-17(16)15-26/h4,7,12,18H,5-6,8-11,13-15H2,1-3H3,(H,24,28) | 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 | 1.60 | 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 | |
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 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50438936
(CHEMBL2420629 | GNE-617)Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1 Show InChI InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay |
J Med Chem 59: 8345-68 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50439306
(CHEMBL2417572)Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)C1CCCCC1)N1Cc2ccncc2C1 Show InChI InChI=1S/C21H25N3O3S/c25-21(24-14-17-10-11-22-13-18(17)15-24)23-12-16-6-8-20(9-7-16)28(26,27)19-4-2-1-3-5-19/h6-11,13,19H,1-5,12,14-15H2,(H,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 | 2 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202639
(CHEMBL3983716 | US10730889, Example 350 | US114857...)Show SMILES CC1(COC1)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(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 | 2.20 | 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 | |
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 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
(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
(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 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202656
(CHEMBL3916438 | US10730889, Example 419 | US114857...)Show SMILES CC1(COC1)OC(=O)N1CCC2(C[C@@H]2CNC(=O)N2Cc3ccncc3C2)CC1 |r| Show InChI InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(H,23,26)/t17-/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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NAMPT in human HT1080 cells assessed as decrease in cell viability by measuring plasma protein binding corrected IC50 after 96 hrs by C... |
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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202665
(CHEMBL3984355 | US10730889, Example 418 | US114857...)Show SMILES O=C(NCC1CC11CCN(CC1)C(=O)c1ccccc1)N1Cc2ccncc2C1 Show InChI InChI=1S/C23H26N4O2/c28-21(17-4-2-1-3-5-17)26-10-7-23(8-11-26)12-20(23)14-25-22(29)27-15-18-6-9-24-13-19(18)16-27/h1-6,9,13,20H,7-8,10-12,14-16H2,(H,25,29) | 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 | 3.5 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202638
(CHEMBL3923552 | US10730889, Example 404 | US114857...)Show SMILES Cc1nc(C)c(s1)C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C22H27N5O2S/c1-14-19(30-15(2)25-14)20(28)26-7-4-22(5-8-26)9-18(22)11-24-21(29)27-12-16-3-6-23-10-17(16)13-27/h3,6,10,18H,4-5,7-9,11-13H2,1-2H3,(H,24,29) | 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 | 3.80 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50011266
(CHEMBL3260358)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C21H15F3N4O3S/c22-21(23,24)16-2-1-3-18(9-16)32(30,31)17-6-4-13(5-7-17)10-26-20(29)15-8-14-12-27-28-19(14)25-11-15/h1-9,11-12H,10H2,(H,26,29)(H,25,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 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 | |
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 | 4 | 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
(Homo sapiens (Human)) | BDBM50202714
(CHEMBL3974268 | US10730889, Example 347 | US114857...)Show SMILES Cc1c(cnn1C)C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C22H28N6O2/c1-15-19(12-25-26(15)2)20(29)27-7-4-22(5-8-27)9-18(22)11-24-21(30)28-13-16-3-6-23-10-17(16)14-28/h3,6,10,12,18H,4-5,7-9,11,13-14H2,1-2H3,(H,24,30) | 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 | 4 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202669
(CHEMBL3939767 | US10730889, Example 151 | US114857...)Show SMILES CC(C)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C20H28N4O3/c1-14(2)27-19(26)23-7-4-20(5-8-23)9-17(20)11-22-18(25)24-12-15-3-6-21-10-16(15)13-24/h3,6,10,14,17H,4-5,7-9,11-13H2,1-2H3,(H,22,25) | 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 | 4.30 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM455760
(BDBM50202668 | N-[[6-(2,4-dimethyloxazole-5- carbo...)Show SMILES Cc1nc(C)c(o1)C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C22H27N5O3/c1-14-19(30-15(2)25-14)20(28)26-7-4-22(5-8-26)9-18(22)11-24-21(29)27-12-16-3-6-23-10-17(16)13-27/h3,6,10,18H,4-5,7-9,11-13H2,1-2H3,(H,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.40 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202664
(CHEMBL3925878 | US10730889, Example 408 | US114857...)Show SMILES CC(C)CC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C21H30N4O2/c1-15(2)9-19(26)24-7-4-21(5-8-24)10-18(21)12-23-20(27)25-13-16-3-6-22-11-17(16)14-25/h3,6,11,15,18H,4-5,7-10,12-14H2,1-2H3,(H,23,27) | 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 | 4.40 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202645
(CHEMBL3948512 | US10730889, Example 228 | US114857...)Show SMILES CC1(CCC1)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C22H30N4O3/c1-21(4-2-5-21)29-20(28)25-9-6-22(7-10-25)11-18(22)13-24-19(27)26-14-16-3-8-23-12-17(16)15-26/h3,8,12,18H,2,4-7,9-11,13-15H2,1H3,(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 | 4.80 | 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 | |
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 | 5 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50438936
(CHEMBL2420629 | GNE-617)Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1 Show InChI InChI=1S/C21H15F2N3O3S/c22-16-9-17(23)11-19(10-16)30(28,29)18-4-1-14(2-5-18)12-25-21(27)15-3-6-20-24-7-8-26(20)13-15/h1-11,13H,12H2,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba... |
J Med Chem 59: 8345-68 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202648
(CHEMBL3914526)Show SMILES CN1CCC(CC1)c1ccc(cc1)C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C29H37N5O2/c1-32-12-7-22(8-13-32)21-2-4-23(5-3-21)27(35)33-14-9-29(10-15-33)16-26(29)18-31-28(36)34-19-24-6-11-30-17-25(24)20-34/h2-6,11,17,22,26H,7-10,12-16,18-20H2,1H3,(H,31,36) | 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 | 5.30 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202656
(CHEMBL3916438 | US10730889, Example 419 | US114857...)Show SMILES CC1(COC1)OC(=O)N1CCC2(C[C@@H]2CNC(=O)N2Cc3ccncc3C2)CC1 |r| Show InChI InChI=1S/C21H28N4O4/c1-20(13-28-14-20)29-19(27)24-6-3-21(4-7-24)8-17(21)10-23-18(26)25-11-15-2-5-22-9-16(15)12-25/h2,5,9,17H,3-4,6-8,10-14H2,1H3,(H,23,26)/t17-/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 | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incuba... |
J Med Chem 59: 8345-68 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C |
More data for this
Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202646
(CHEMBL3889487 | US11485745, Example 290)Show SMILES O=C(CCC1CCOCC1)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C24H34N4O3/c29-22(2-1-18-4-11-31-12-5-18)27-9-6-24(7-10-27)13-21(24)15-26-23(30)28-16-19-3-8-25-14-20(19)17-28/h3,8,14,18,21H,1-2,4-7,9-13,15-17H2,(H,26,30) | 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 | 5.80 | 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 | |
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 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202633
(CHEMBL3897803)Show SMILES [O-][S@+](c1ccc(CNC(=O)c2cc3ccncc3o2)nc1)c1cc(F)cc(F)c1 |r| 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)/t29-/m1/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 | 6 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50011266
(CHEMBL3260358)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C21H15F3N4O3S/c22-21(23,24)16-2-1-3-18(9-16)32(30,31)17-6-4-13(5-7-17)10-26-20(29)15-8-14-12-27-28-19(14)25-11-15/h1-9,11-12H,10H2,(H,26,29)(H,25,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 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 | |
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 | 6 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202721
(CHEMBL3968268 | US10730889, Example 399 | US114857...)Show SMILES CC1(CC(=O)N2CCC3(CC3CNC(=O)N3Cc4ccncc4C3)CC2)CCOCC1 Show InChI InChI=1S/C24H34N4O3/c1-23(5-10-31-11-6-23)13-21(29)27-8-3-24(4-9-27)12-20(24)15-26-22(30)28-16-18-2-7-25-14-19(18)17-28/h2,7,14,20H,3-6,8-13,15-17H2,1H3,(H,26,30) | 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 | 6 | 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 | |
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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay |
J Med Chem 59: 8345-68 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00697
BindingDB Entry DOI: 10.7270/Q2KW5J0C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202648
(CHEMBL3914526)Show SMILES CN1CCC(CC1)c1ccc(cc1)C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C29H37N5O2/c1-32-12-7-22(8-13-32)21-2-4-23(5-3-21)27(35)33-14-9-29(10-15-33)16-26(29)18-31-28(36)34-19-24-6-11-30-17-25(24)20-34/h2-6,11,17,22,26H,7-10,12-16,18-20H2,1H3,(H,31,36) | 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 | 6.10 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202644
(CHEMBL3949594 | US10730889, Example 366 | US114857...)Show SMILES Cc1nn(C)c(C)c1C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C23H30N6O2/c1-15-20(16(2)27(3)26-15)21(30)28-8-5-23(6-9-28)10-19(23)12-25-22(31)29-13-17-4-7-24-11-18(17)14-29/h4,7,11,19H,5-6,8-10,12-14H2,1-3H3,(H,25,31) | 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 | 6.20 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202720
(CHEMBL3940454 | US10730889, Example 352 | US114857...)Show SMILES Cc1ccncc1C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C23H27N5O2/c1-16-2-6-25-13-20(16)21(29)27-8-4-23(5-9-27)10-19(23)12-26-22(30)28-14-17-3-7-24-11-18(17)15-28/h2-3,6-7,11,13,19H,4-5,8-10,12,14-15H2,1H3,(H,26,30) | 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 | 6.5 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202716
(CHEMBL3913883 | US11485745, Example 218)Show SMILES COCC(C)(C)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C22H32N4O4/c1-21(2,15-29-3)30-20(28)25-8-5-22(6-9-25)10-18(22)12-24-19(27)26-13-16-4-7-23-11-17(16)14-26/h4,7,11,18H,5-6,8-10,12-15H2,1-3H3,(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 | 6.70 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202670
(CHEMBL3904503 | US10730889, Example 219 | US114857...)Show SMILES O=C(CC1CCOCC1)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C23H32N4O3/c28-21(11-17-2-9-30-10-3-17)26-7-4-23(5-8-26)12-20(23)14-25-22(29)27-15-18-1-6-24-13-19(18)16-27/h1,6,13,17,20H,2-5,7-12,14-16H2,(H,25,29) | 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 | 6.90 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50435366
(CHEMBL2391568 | US11279687, Compound 22 | US114527...)Show SMILES O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CC2CCC(C1)O2 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)23-12-16-5-6-17(13-23)27-16/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 | 7 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202658
(CHEMBL3893879 | US10730889, Example 49 | US1148574...)Show SMILES CC(C)(C)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C21H30N4O3/c1-20(2,3)28-19(27)24-8-5-21(6-9-24)10-17(21)12-23-18(26)25-13-15-4-7-22-11-16(15)14-25/h4,7,11,17H,5-6,8-10,12-14H2,1-3H3,(H,23,26) | 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 | 7 | 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
(Homo sapiens (Human)) | BDBM50202667
(CHEMBL3921809 | US10730889, Example 279 | US114857...)Show SMILES Cc1nn(C)cc1C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C22H28N6O2/c1-15-19(14-26(2)25-15)20(29)27-7-4-22(5-8-27)9-18(22)11-24-21(30)28-12-16-3-6-23-10-17(16)13-28/h3,6,10,14,18H,4-5,7-9,11-13H2,1-2H3,(H,24,30) | 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 | 7.5 | 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 | |
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 | 8 | 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 | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50202644
(CHEMBL3949594 | US10730889, Example 366 | US114857...)Show SMILES Cc1nn(C)c(C)c1C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 Show InChI InChI=1S/C23H30N6O2/c1-15-20(16(2)27(3)26-15)21(30)28-8-5-23(6-9-28)10-19(23)12-25-22(31)29-13-17-4-7-24-11-18(17)14-29/h4,7,11,19H,5-6,8-10,12-14H2,1-3H3,(H,25,31) | 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 | 8.60 | 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 | |
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 | 9 | 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 | |
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