Reaction Details Report a problem with these data
Target
NAD-dependent protein deacetylase sirtuin-1
Ligand
BDBM50088298
Substrate
n/a
Meas. Tech.
ChEMBL_1476843 (CHEMBL3429766)
IC50
11000±n/a nM
Citation
 Therrien, E; Larouche, G; Nguyen, N; Rahil, J; Lemieux, AM; Li, Z; Fournel, M; Yan, TP; Landry, AJ; Lefebvre, S; Wang, JJ; MacBeth, K; Heise, C; Nguyen, A; Besterman, JM; Déziel, R; Wahhab, A Discovery of bicyclic pyrazoles as class III histone deacetylase SIRT1 and SIRT2 inhibitors. Bioorg Med Chem Lett 25:2514-8 (2015) [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:
BDBM50088298
Synonyms:
CHEMBL3427758
Type:
Small organic molecule
Emp. Form.:
C12H12BrN3OS
Mol. Mass.:
326.212
SMILES:
NC(=O)C1CCCc2c1[nH]nc2-c1cc(Br)cs1
Structure:
Search PDB for entries with ligand similarity: