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BDBM50431097 CHEMBL2332039

SMILES: CCNC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O

InChI Key: InChIKey=IXDTWYVAYLILOL-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50431097
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50431097 (CHEMBL2332039) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris a GSK Company Curated by ChEMBL					Assay Description Inhibition of human ERG by dofetilide binding assay				J Med Chem 56: 3666-79 (2013) Article DOI: 10.1021/jm400204k BindingDB Entry DOI: 10.7270/Q2D50P9C
Sirtris a GSK Company Curated by ChEMBL					More data for this Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM50431097 (CHEMBL2332039) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris a GSK Company Curated by ChEMBL					Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after...				J Med Chem 56: 3666-79 (2013) Article DOI: 10.1021/jm400204k BindingDB Entry DOI: 10.7270/Q2D50P9C
Sirtris a GSK Company Curated by ChEMBL					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50431097 (CHEMBL2332039) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris a GSK Company Curated by ChEMBL					Assay Description Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...				J Med Chem 56: 3666-79 (2013) Article DOI: 10.1021/jm400204k BindingDB Entry DOI: 10.7270/Q2D50P9C
Sirtris a GSK Company Curated by ChEMBL					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3) (Homo sapiens (Human))	BDBM50431097 (CHEMBL2332039) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris a GSK Company Curated by ChEMBL					Assay Description Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...				J Med Chem 56: 3666-79 (2013) Article DOI: 10.1021/jm400204k BindingDB Entry DOI: 10.7270/Q2D50P9C
Sirtris a GSK Company Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)