Reaction Details Report a problem with these data
Target
NAD-dependent protein deacetylase sirtuin-1
Ligand
BDBM50193056
Substrate
n/a
Meas. Tech.
ChEMBL_1614255 (CHEMBL3856324)
IC50
16350±n/a nM
Citation
 Kumar, A; Chauhan, S How much successful are the medicinal chemists in modulation of SIRT1: A critical review. Eur J Med Chem 119:45-69 (2016) [PubMed]  Article 
Target
Name:
NAD-dependent protein deacetylase sirtuin-1
Synonyms:
NAD-Dependent Deacetylase Sirtuin-1 | NAD-dependent deacetylase sirtuin 1 | NAD-dependent protein deacetylase sirtuin-1 (SIRT1) | SIR1_HUMAN | SIR2-like protein 1 | SIR2L1 | SIRT1 | Sirtuin 1 (SIRT1) | Sirtuin-1 (SIRT1) | hSIR2
Type:
Developmental protein; hydrolase
Mol. Mass.:
81626.66
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
747
Sequence:
MADEAALALQPGGSPSAAGADREAASSPAGEPLRKRPRRDGPGLERSPGEPGGAAPEREVPAAARGCPGAAAAALWREAEAEAAAAGGEQEAQATAAAGEGDNGPGLQGPSREPPLADNLYDEDDDDEGEEEEEAAAAAIGYRDNLLFGDEIITNGFHSCESDEEDRASHASSSDWTPRPRIGPYTFVQQHLMIGTDPRTILKDLLPETIPPPELDDMTLWQIVINILSEPPKRKKRKDINTIEDAVKLLQECKKIIVLTGAGVSVSCGIPDFRSRDGIYARLAVDFPDLPDPQAMFDIEYFRKDPRPFFKFAKEIYPGQFQPSLCHKFIALSDKEGKLLRNYTQNIDTLEQVAGIQRIIQCHGSFATASCLICKYKVDCEAVRGDIFNQVVPRCPRCPADEPLAIMKPEIVFFGENLPEQFHRAMKYDKDEVDLLIVIGSSLKVRPVALIPSSIPHEVPQILINREPLPHLHFDVELLGDCDVIINELCHRLGGEYAKLCCNPVKLSEITEKPPRTQKELAYLSELPPTPLHVSEDSSSPERTSPPDSSVIVTLLDQAAKSNDDLDVSESKGCMEEKPQEVQTSRNVESIAEQMENPDLKNVGSSTGEKNERTSVAGTVRKCWPNRVAKEQISRRLDGNQYLFLPPNRYIFHGAEVYSDSEDDVLSSSSCGSNSDSGTCQSPSLEEPMEDESEIEEFYNGLEDEPDVPERAGGAGFGTDGDDQEAINEAISVKQEVTDMNYPSNKS
  
Inhibitor
Name:
BDBM50193056
Synonyms:
CHEMBL3980009
Type:
Small organic molecule
Emp. Form.:
C21H14N4O4S
Mol. Mass.:
418.425
SMILES:
[#7]-[#6]-1=[#6](C#N)\[#6](=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)-[#6](C#N)=[#6](-[#7]-1)-[#16]-[#6]-[#6](=O)-c1ccc(-[#8])c(-[#8])c1 |c:1,7,11,16|
Structure:
Search PDB for entries with ligand similarity: