Found 11 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)) | 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
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi del Piemonte Orientale"A. Avogadro"
Curated by ChEMBL
| Assay Description Noncompetitive inhibition of NAMPT (unknown origin) |
J Med Chem 56: 6279-96 (2013)
Article DOI: 10.1021/jm4001049 BindingDB Entry DOI: 10.7270/Q25Q4XJ8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50439676
(CHEMBL2417796)Show SMILES CN1CCN(Cc2nc3cc(Br)c(CN(CC#C)c4ccc(cc4)C(=O)NCc4cccnc4)cc3c(=O)n2C)CC1 Show InChI InChI=1S/C32H34BrN7O2/c1-4-12-40(26-9-7-24(8-10-26)31(41)35-20-23-6-5-11-34-19-23)21-25-17-27-29(18-28(25)33)36-30(38(3)32(27)42)22-39-15-13-37(2)14-16-39/h1,5-11,17-19H,12-16,20-22H2,2-3H3,(H,35,41) | 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 | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi del Piemonte Orientale"A. Avogadro"
Curated by ChEMBL
| Assay Description Inhibition of NAMPT (unknown origin) |
J Med Chem 56: 6279-96 (2013)
Article DOI: 10.1021/jm4001049 BindingDB Entry DOI: 10.7270/Q25Q4XJ8 |
More data for this Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50347432
(CHEMBL1801863)Show SMILES Cn1c(CN2CCN(CCCN)CC2)nc2cc(Cl)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3cccnc3)cc2c1=O Show InChI InChI=1S/C34H39ClN8O2/c1-3-13-43(28-9-7-26(8-10-28)33(44)38-22-25-6-4-12-37-21-25)23-27-19-29-31(20-30(27)35)39-32(40(2)34(29)45)24-42-17-15-41(16-18-42)14-5-11-36/h1,4,6-10,12,19-21H,5,11,13-18,22-24,36H2,2H3,(H,38,44) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi del Piemonte Orientale"A. Avogadro"
Curated by ChEMBL
| Assay Description Inhibition of NAMPT (unknown origin) |
J Med Chem 56: 6279-96 (2013)
Article DOI: 10.1021/jm4001049 BindingDB Entry DOI: 10.7270/Q25Q4XJ8 |
More data for this Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50347433
(CHEMBL1801864)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7](-[#6]-c1cc2c(cc1Cl)nnn(-[#6])c2=O)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-c1cccnc1 Show InChI InChI=1S/C27H27ClN6O2/c1-18(2)10-12-34(17-21-13-23-25(14-24(21)28)31-32-33(3)27(23)36)22-8-6-20(7-9-22)26(35)30-16-19-5-4-11-29-15-19/h4-11,13-15H,12,16-17H2,1-3H3,(H,30,35) | 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 | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi del Piemonte Orientale"A. Avogadro"
Curated by ChEMBL
| Assay Description Inhibition of NAMPT (unknown origin) |
J Med Chem 56: 6279-96 (2013)
Article DOI: 10.1021/jm4001049 BindingDB Entry DOI: 10.7270/Q25Q4XJ8 |
More data for this Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50439675
(CHEMBL2417788 | US11279687, Compound 196)Show SMILES FC(F)(F)Oc1ccccc1S(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 Show InChI InChI=1S/C20H16F3N3O4S/c21-20(22,23)30-17-5-1-2-6-18(17)31(28,29)16-9-7-15(8-10-16)26-19(27)25-13-14-4-3-11-24-12-14/h1-12H,13H2,(H2,25,26,27) | 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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi del Piemonte Orientale"A. Avogadro"
Curated by ChEMBL
| Assay Description Inhibition of NAMPT (unknown origin) |
J Med Chem 56: 6279-96 (2013)
Article DOI: 10.1021/jm4001049 BindingDB Entry DOI: 10.7270/Q25Q4XJ8 |
More data for this Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50439678
(CHEMBL2417789)Show SMILES Clc1cccc(c1)S(=O)(=O)c1ccc(CNC(NC#N)=Nc2ccncc2)cc1 |w:20.21| Show InChI InChI=1S/C20H16ClN5O2S/c21-16-2-1-3-19(12-16)29(27,28)18-6-4-15(5-7-18)13-24-20(25-14-22)26-17-8-10-23-11-9-17/h1-12H,13H2,(H2,23,24,25,26) | 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 | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi del Piemonte Orientale"A. Avogadro"
Curated by ChEMBL
| Assay Description Inhibition of recombinant his-tagged NAMPT (unknown origin) expressed in Escherichia coli after 30 mins |
J Med Chem 56: 6279-96 (2013)
Article DOI: 10.1021/jm4001049 BindingDB Entry DOI: 10.7270/Q25Q4XJ8 |
More data for this Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50439677
(CHEMBL2417790 | US9169209, Table 3, Compound 55)Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)c1ccccc1)\C=C\c1cccnc1 Show InChI InChI=1S/C20H16N2O3S/c23-20(13-8-16-5-4-14-21-15-16)22-17-9-11-19(12-10-17)26(24,25)18-6-2-1-3-7-18/h1-15H,(H,22,23)/b13-8+ | 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 |
Universit£ degli Studi del Piemonte Orientale"A. Avogadro"
Curated by ChEMBL
| Assay Description Inhibition of recombinant his-tagged NAMPT (unknown origin) expressed in Escherichia coli after 30 mins |
J Med Chem 56: 6279-96 (2013)
Article DOI: 10.1021/jm4001049 BindingDB Entry DOI: 10.7270/Q25Q4XJ8 |
More data for this Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50439680
(CHEMBL2417798)Show SMILES Cc1ncsc1C(=O)N1CCC(CCCCNC(=O)c2cc3cnccc3[nH]2)CC1 Show InChI InChI=1S/C22H27N5O2S/c1-15-20(30-14-25-15)22(29)27-10-6-16(7-11-27)4-2-3-8-24-21(28)19-12-17-13-23-9-5-18(17)26-19/h5,9,12-14,16,26H,2-4,6-8,10-11H2,1H3,(H,24,28) | 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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi del Piemonte Orientale"A. Avogadro"
Curated by ChEMBL
| Assay Description Inhibition of recombinant his-tagged NAMPT (unknown origin) expressed in Escherichia coli after 30 mins |
J Med Chem 56: 6279-96 (2013)
Article DOI: 10.1021/jm4001049 BindingDB Entry DOI: 10.7270/Q25Q4XJ8 |
More data for this Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50439679
(CHEMBL2417799)Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)c1cc2ccncc2s1 Show InChI InChI=1S/C24H27N3O2S/c28-23(21-16-20-9-13-25-17-22(20)30-21)26-12-5-4-6-18-10-14-27(15-11-18)24(29)19-7-2-1-3-8-19/h1-3,7-9,13,16-18H,4-6,10-12,14-15H2,(H,26,28) | 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 | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi del Piemonte Orientale"A. Avogadro"
Curated by ChEMBL
| Assay Description Inhibition of recombinant his-tagged NAMPT (unknown origin) expressed in Escherichia coli after 30 mins |
J Med Chem 56: 6279-96 (2013)
Article DOI: 10.1021/jm4001049 BindingDB Entry DOI: 10.7270/Q25Q4XJ8 |
More data for this Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50005031
(CHEMBL2417792)Show SMILES Nc1c(-c2ccc3ccccc3n2)c2ccc(cc2c(=O)n1Cc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C25H18N4O3/c26-24-23(22-13-10-17-8-4-5-9-21(17)27-22)19-12-11-18(29(31)32)14-20(19)25(30)28(24)15-16-6-2-1-3-7-16/h1-14H,15,26H2 | 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 | <5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi del Piemonte Orientale"A. Avogadro"
Curated by ChEMBL
| Assay Description Inhibition of NAMPT in human U87 cells |
J Med Chem 56: 6279-96 (2013)
Article DOI: 10.1021/jm4001049 BindingDB Entry DOI: 10.7270/Q25Q4XJ8 |
More data for this Ligand-Target Pair | |
Nicotinamide phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50439681
(CHEMBL2417797)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n+]1cccc(\C=C\C(=O)NCCCCC2CCN(CC2)C(=O)c2ccccc2)c1 |r| Show InChI InChI=1S/C29H37N3O6/c33-20-24-26(35)27(36)29(38-24)32-16-6-8-22(19-32)11-12-25(34)30-15-5-4-7-21-13-17-31(18-14-21)28(37)23-9-2-1-3-10-23/h1-3,6,8-12,16,19,21,24,26-27,29,33,35-36H,4-5,7,13-15,17-18,20H2/p+1/b12-11+/t24-,26-,27-,29-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi del Piemonte Orientale"A. Avogadro"
Curated by ChEMBL
| Assay Description Binding affinity to NAMPT (unknown origin) |
J Med Chem 56: 6279-96 (2013)
Article DOI: 10.1021/jm4001049 BindingDB Entry DOI: 10.7270/Q25Q4XJ8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |