null

SMILES: NCCc1ccc(O)c(c1)C1CCCCC1

InChI Key: InChIKey=DOCCSEDGBYCYLS-UHFFFAOYSA-N

PDB links: 1 PDB ID matches 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 = 50372980   

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
Oxidized purine nucleoside triphosphate hydrolase (Homo sapiens (Human))	BDBM50372980 (CHEMBL404150) Show SMILES NCCc1ccc(O)c(c1)C1CCCCC1 Show InChI InChI=1S/C14H21NO/c15-9-8-11-6-7-14(16)13(10-11)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP as substrate incubated for 15 min...				Eur J Med Chem 175: 107-113 (2019) Article DOI: 10.1016/j.ejmech.2019.04.037
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50372980 (CHEMBL404150) Show SMILES NCCc1ccc(O)c(c1)C1CCCCC1 Show InChI InChI=1S/C14H21NO/c15-9-8-11-6-7-14(16)13(10-11)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Curated by ChEMBL					Assay Description Binding affinity to BACE1 by surface plasmon resonance method				Bioorg Med Chem Lett 18: 1304-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.032 BindingDB Entry DOI: 10.7270/Q2Z60PW9
					More data for this Ligand-Target Pair				3D Structure (crystal)