Found 3 hits for monomerid = 50152093 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 protein deacetylase sirtuin-3 (SIRT3)
(Homo sapiens (Human)) | BDBM50152093
(CHEMBL3779989)Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC1=O)C(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H113F3N24O24S/c1-3-38(2)60-74(128)95-44(13-7-8-24-89-75(129)78(79,80)81)62(116)93-45(14-9-25-90-76(85)86)63(117)96-49(29-41-18-22-43(111)23-19-41)67(121)101-53(33-107)71(125)99-51(31-58(83)113)69(123)102-54(34-108)72(126)103-55(35-109)73(127)104-56(61(84)115)36-130-37-59(114)92-47(28-40-16-20-42(110)21-17-40)65(119)100-52(32-106)70(124)98-50(30-57(82)112)68(122)97-48(27-39-11-5-4-6-12-39)66(120)94-46(64(118)105-60)15-10-26-91-77(87)88/h4-6,11-12,16-23,38,44-56,60,106-111H,3,7-10,13-15,24-37H2,1-2H3,(H2,82,112)(H2,83,113)(H2,84,115)(H,89,129)(H,92,114)(H,93,116)(H,94,120)(H,95,128)(H,96,117)(H,97,122)(H,98,124)(H,99,125)(H,100,119)(H,101,121)(H,102,123)(H,103,126)(H,104,127)(H,105,118)(H4,85,86,90)(H4,87,88,91)/t38-,44-,45-,46-,47-,48-,49-,50-,51-,52+,53-,54-,55-,56-,60-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description Inhibition of SIRT3 (unknown origin) |
Bioorg Med Chem Lett 26: 1612-7 (2016)
BindingDB Entry DOI: 10.7270/Q2HM5B9J |
More data for this Ligand-Target Pair | |
NAD-Dependent Deacetylase Sirtuin-1
(Homo sapiens (Human)) | BDBM50152093
(CHEMBL3779989)Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC1=O)C(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H113F3N24O24S/c1-3-38(2)60-74(128)95-44(13-7-8-24-89-75(129)78(79,80)81)62(116)93-45(14-9-25-90-76(85)86)63(117)96-49(29-41-18-22-43(111)23-19-41)67(121)101-53(33-107)71(125)99-51(31-58(83)113)69(123)102-54(34-108)72(126)103-55(35-109)73(127)104-56(61(84)115)36-130-37-59(114)92-47(28-40-16-20-42(110)21-17-40)65(119)100-52(32-106)70(124)98-50(30-57(82)112)68(122)97-48(27-39-11-5-4-6-12-39)66(120)94-46(64(118)105-60)15-10-26-91-77(87)88/h4-6,11-12,16-23,38,44-56,60,106-111H,3,7-10,13-15,24-37H2,1-2H3,(H2,82,112)(H2,83,113)(H2,84,115)(H,89,129)(H,92,114)(H,93,116)(H,94,120)(H,95,128)(H,96,117)(H,97,122)(H,98,124)(H,99,125)(H,100,119)(H,101,121)(H,102,123)(H,103,126)(H,104,127)(H,105,118)(H4,85,86,90)(H4,87,88,91)/t38-,44-,45-,46-,47-,48-,49-,50-,51-,52+,53-,54-,55-,56-,60-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description Inhibition of SIRT1 (unknown origin) |
Bioorg Med Chem Lett 26: 1612-7 (2016)
BindingDB Entry DOI: 10.7270/Q2HM5B9J |
More data for this Ligand-Target Pair | |
NAD-dependent deacetylase sirtuin 2
(Homo sapiens (Human)) | BDBM50152093
(CHEMBL3779989)Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC1=O)C(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C78H113F3N24O24S/c1-3-38(2)60-74(128)95-44(13-7-8-24-89-75(129)78(79,80)81)62(116)93-45(14-9-25-90-76(85)86)63(117)96-49(29-41-18-22-43(111)23-19-41)67(121)101-53(33-107)71(125)99-51(31-58(83)113)69(123)102-54(34-108)72(126)103-55(35-109)73(127)104-56(61(84)115)36-130-37-59(114)92-47(28-40-16-20-42(110)21-17-40)65(119)100-52(32-106)70(124)98-50(30-57(82)112)68(122)97-48(27-39-11-5-4-6-12-39)66(120)94-46(64(118)105-60)15-10-26-91-77(87)88/h4-6,11-12,16-23,38,44-56,60,106-111H,3,7-10,13-15,24-37H2,1-2H3,(H2,82,112)(H2,83,113)(H2,84,115)(H,89,129)(H,92,114)(H,93,116)(H,94,120)(H,95,128)(H,96,117)(H,97,122)(H,98,124)(H,99,125)(H,100,119)(H,101,121)(H,102,123)(H,103,126)(H,104,127)(H,105,118)(H4,85,86,90)(H4,87,88,91)/t38-,44-,45-,46-,47-,48-,49-,50-,51-,52+,53-,54-,55-,56-,60-/m0/s1 | PDB MMDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description Inhibition of human SIRT2 |
Bioorg Med Chem Lett 26: 1612-7 (2016)
BindingDB Entry DOI: 10.7270/Q2HM5B9J |
More data for this Ligand-Target Pair | |