Found 6 hits for monomerid = 50228364 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
NAD-Dependent Deacetylase Sirtuin-1
(Homo sapiens (Human)) | BDBM50228364
(3,4,5-trimethoxy-N-(2-(3-(piperazin-1-ylmethyl)imi...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1 Show InChI InChI=1S/C26H29N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 1.62E+4 | n/a | n/a | n/a | n/a | n/a |
Sirtris Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity to SIRT1 |
J Med Chem 52: 1275-83 (2010)
Article DOI: 10.1021/jm8012954 BindingDB Entry DOI: 10.7270/Q2ZC82V5 |
More data for this Ligand-Target Pair | |
NAD-Dependent Deacetylase Sirtuin-1
(Homo sapiens (Human)) | BDBM50228364
(3,4,5-trimethoxy-N-(2-(3-(piperazin-1-ylmethyl)imi...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1 Show InChI InChI=1S/C26H29N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-... |
J Med Chem 56: 761-80 (2013)
Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)
(Homo sapiens (Human)) | BDBM50228364
(3,4,5-trimethoxy-N-(2-(3-(piperazin-1-ylmethyl)imi...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1 Show InChI InChI=1S/C26H29N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a |
Sirtris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Activation of SIRT3 by mass spectrometry assay |
Nature 450: 712-716 (2007)
Article DOI: 10.1038/nature06261 BindingDB Entry DOI: 10.7270/Q2765G67 |
More data for this Ligand-Target Pair | |
NAD-dependent deacetylase sirtuin 2
(Homo sapiens (Human)) | BDBM50228364
(3,4,5-trimethoxy-N-(2-(3-(piperazin-1-ylmethyl)imi...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1 Show InChI InChI=1S/C26H29N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32) | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a |
Sirtris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Activation of SIRT2 by mass spectrometry assay |
Nature 450: 712-716 (2007)
Article DOI: 10.1038/nature06261 BindingDB Entry DOI: 10.7270/Q2765G67 |
More data for this Ligand-Target Pair | |
NAD-Dependent Deacetylase Sirtuin-1
(Homo sapiens (Human)) | BDBM50228364
(3,4,5-trimethoxy-N-(2-(3-(piperazin-1-ylmethyl)imi...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1 Show InChI InChI=1S/C26H29N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a |
Sirtris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Activation of human SIRT1 expressed in Escherichia coli BL21 by mass spectrometry assay |
Nature 450: 712-716 (2007)
Article DOI: 10.1038/nature06261 BindingDB Entry DOI: 10.7270/Q2765G67 |
More data for this Ligand-Target Pair | |
NAD-Dependent Deacetylase Sirtuin-1
(Homo sapiens (Human)) | BDBM50228364
(3,4,5-trimethoxy-N-(2-(3-(piperazin-1-ylmethyl)imi...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1 Show InChI InChI=1S/C26H29N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 1.62E+4 | n/a | n/a | n/a | n/a | n/a |
Sirtris Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human SIRT1 by isothermal titration calorimetry |
Nature 450: 712-716 (2007)
Article DOI: 10.1038/nature06261 BindingDB Entry DOI: 10.7270/Q2765G67 |
More data for this Ligand-Target Pair | |