Found 3 hits for monomerid = 50540058 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)) | BDBM50540058
(CHEMBL4636618)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C52H95N19O17S/c1-26(63-50(86)41(29(4)74)71-47(83)35(17-18-37(56)75)67-43(79)31(55)13-6-9-19-53)42(78)66-34(16-12-22-60-52(57)58)45(81)68-33(15-8-11-21-59-30(5)89)46(82)69-36(25-72)48(84)70-40(28(3)73)49(85)62-23-38(76)61-24-39(77)65-32(14-7-10-20-54)44(80)64-27(2)51(87)88/h26-29,31-36,40-41,72-74H,6-25,53-55H2,1-5H3,(H2,56,75)(H,59,89)(H,61,76)(H,62,85)(H,63,86)(H,64,80)(H,65,77)(H,66,78)(H,67,79)(H,68,81)(H,69,82)(H,70,84)(H,71,83)(H,87,88)(H4,57,58,60)/t26-,27-,28+,29+,31-,32-,33-,34-,35-,36-,40-,41-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of sirtuin 1 (unknown origin) |
Eur J Med Chem 161: 48-77 (2019)
|
More data for this
Ligand-Target Pair | |
NAD-dependent deacetylase sirtuin 3
(Homo sapiens (Human)) | BDBM50540058
(CHEMBL4636618)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C52H95N19O17S/c1-26(63-50(86)41(29(4)74)71-47(83)35(17-18-37(56)75)67-43(79)31(55)13-6-9-19-53)42(78)66-34(16-12-22-60-52(57)58)45(81)68-33(15-8-11-21-59-30(5)89)46(82)69-36(25-72)48(84)70-40(28(3)73)49(85)62-23-38(76)61-24-39(77)65-32(14-7-10-20-54)44(80)64-27(2)51(87)88/h26-29,31-36,40-41,72-74H,6-25,53-55H2,1-5H3,(H2,56,75)(H,59,89)(H,61,76)(H,62,85)(H,63,86)(H,64,80)(H,65,77)(H,66,78)(H,67,79)(H,68,81)(H,69,82)(H,70,84)(H,71,83)(H,87,88)(H4,57,58,60)/t26-,27-,28+,29+,31-,32-,33-,34-,35-,36-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of sirtuin 3 (unknown origin) |
Eur J Med Chem 161: 48-77 (2019)
|
More data for this
Ligand-Target Pair | |
NAD-dependent deacetylase sirtuin 2
(Homo sapiens (Human)) | BDBM50540058
(CHEMBL4636618)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C52H95N19O17S/c1-26(63-50(86)41(29(4)74)71-47(83)35(17-18-37(56)75)67-43(79)31(55)13-6-9-19-53)42(78)66-34(16-12-22-60-52(57)58)45(81)68-33(15-8-11-21-59-30(5)89)46(82)69-36(25-72)48(84)70-40(28(3)73)49(85)62-23-38(76)61-24-39(77)65-32(14-7-10-20-54)44(80)64-27(2)51(87)88/h26-29,31-36,40-41,72-74H,6-25,53-55H2,1-5H3,(H2,56,75)(H,59,89)(H,61,76)(H,62,85)(H,63,86)(H,64,80)(H,65,77)(H,66,78)(H,67,79)(H,68,81)(H,69,82)(H,70,84)(H,71,83)(H,87,88)(H4,57,58,60)/t26-,27-,28+,29+,31-,32-,33-,34-,35-,36-,40-,41-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of sirtuin 2 (unknown origin) |
Eur J Med Chem 161: 48-77 (2019)
|
More data for this
Ligand-Target Pair | |
Search and Browse
