BDBM34111 BMC171353 Compound 6b::hydroquinone derivative, 2a

SMILES: Oc1ccc(O)c(Cc2ccccc2)c1

InChI Key: InChIKey=NEWPHVNFSATQRX-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 67 PDB IDs contain this monomer as substructures. 67 PDB IDs contain inhibitors having a similarity of 90% to 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 = 34111   

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
Sarco/endoplasmic Reticulum Ca2+ ATPase 1 (Oryctolagus cuniculus)	BDBM34111 (BMC171353 Compound 6b | hydroquinone derivative, 2...) Show SMILES Oc1ccc(O)c(Cc2ccccc2)c1 Show InChI InChI=1S/C13H12O2/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	7.3	37
Northern Kentucky University					Assay Description Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....				Bioorg Med Chem 17: 1353-60 (2009) Article DOI: 10.1016/j.bmc.2008.12.010 BindingDB Entry DOI: 10.7270/Q2WD3XX7
					More data for this Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1 (Oryctolagus cuniculus)	BDBM34111 (BMC171353 Compound 6b | hydroquinone derivative, 2...) Show SMILES Oc1ccc(O)c(Cc2ccccc2)c1 Show InChI InChI=1S/C13H12O2/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	7.3	37
Northern Kentucky University					Assay Description Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....				Bioorg Med Chem 17: 6613-9 (2009) Article DOI: 10.1016/j.bmc.2009.07.075 BindingDB Entry DOI: 10.7270/Q2154FCG
					More data for this Ligand-Target Pair