Found 6 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 |
|---|
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50242137
(CHEMBL4070149)Show SMILES Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccc(NC(=O)c4cccs4)cc3)c2)n1 Show InChI InChI=1S/C26H24N4O3S2/c1-17-13-18(2)28-26(27-17)35-16-24(31)29-21-6-3-5-19(14-21)15-33-22-10-8-20(9-11-22)30-25(32)23-7-4-12-34-23/h3-14H,15-16H2,1-2H3,(H,29,31)(H,30,32) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Xihua University
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT2 |
Eur J Med Chem 134: 230-241 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.010
BindingDB Entry DOI: 10.7270/Q2QR509N |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50178769
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Xihua University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT1 (unknown origin) |
Eur J Med Chem 134: 230-241 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.010
BindingDB Entry DOI: 10.7270/Q2QR509N |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50228363
(CHEMBL257991 | N-(2-(3-(piperazin-1-ylmethyl)imida...)Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 Show InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Xihua University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT3 (unknown origin) |
Eur J Med Chem 134: 230-241 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.010
BindingDB Entry DOI: 10.7270/Q2QR509N |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
NAD-dependent protein deacetylase sirtuin-2
(Homo sapiens (Human)) | BDBM50179360
(CHEMBL3040216)Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40- | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xihua University
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT2 |
Eur J Med Chem 134: 230-241 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.010
BindingDB Entry DOI: 10.7270/Q2QR509N |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50242137
(CHEMBL4070149)Show SMILES Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccc(NC(=O)c4cccs4)cc3)c2)n1 Show InChI InChI=1S/C26H24N4O3S2/c1-17-13-18(2)28-26(27-17)35-16-24(31)29-21-6-3-5-19(14-21)15-33-22-10-8-20(9-11-22)30-25(32)23-7-4-12-34-23/h3-14H,15-16H2,1-2H3,(H,29,31)(H,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xihua University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT3 (unknown origin) |
Eur J Med Chem 134: 230-241 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.010
BindingDB Entry DOI: 10.7270/Q2QR509N |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50242137
(CHEMBL4070149)Show SMILES Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccc(NC(=O)c4cccs4)cc3)c2)n1 Show InChI InChI=1S/C26H24N4O3S2/c1-17-13-18(2)28-26(27-17)35-16-24(31)29-21-6-3-5-19(14-21)15-33-22-10-8-20(9-11-22)30-25(32)23-7-4-12-34-23/h3-14H,15-16H2,1-2H3,(H,29,31)(H,30,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xihua University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT1 (unknown origin) |
Eur J Med Chem 134: 230-241 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.010
BindingDB Entry DOI: 10.7270/Q2QR509N |
More data for this
Ligand-Target Pair | |
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