BDBM50405320 CHEMBL93746

SMILES: CC(C)(C)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=KDVYCTOWXSLNNI-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 8 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50405320   

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
Thiopurine S-methyltransferase (Homo sapiens (Human))	BDBM50405320 (CHEMBL93746) Show SMILES CC(C)(C)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	2.09E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of purified human kidney thiopurine methyltransferase (TPMT)				J Med Chem 29: 354-8 (1986) BindingDB Entry DOI: 10.7270/Q2445NPZ
					More data for this Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM50405320 (CHEMBL93746) Show SMILES CC(C)(C)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of SIRT1 (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 24: 349-52 (2013) Article DOI: 10.1016/j.bmcl.2013.11.004 BindingDB Entry DOI: 10.7270/Q2RR20Q6
					More data for this Ligand-Target Pair