BDBM50000573 6-{6-[2-(2-Hydroxy-ethyl)-piperidin-4-yl]-hexyloxy}-2-phenyl-chromen-4-one::CHEMBL39713

SMILES: OCCC1CC(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CCN1

InChI Key: InChIKey=ILHCFXHHSGJCMQ-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50000573   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50000573 (6-{6-[2-(2-Hydroxy-ethyl)-piperidin-4-yl]-hexyloxy...) Show SMILES OCCC1CC(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CCN1 Show InChI InChI=1S/C28H35NO4/c30-16-14-23-18-21(13-15-29-23)8-4-1-2-7-17-32-24-11-12-27-25(19-24)26(31)20-28(33-27)22-9-5-3-6-10-22/h3,5-6,9-12,19-21,23,29-30H,1-2,4,7-8,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nova Pharmaceutical Corporation Curated by ChEMBL					Assay Description Affinity towards dopamine receptor D2 was determined by competition studies using [3H]-sulpiride in rat striatum.				J Med Chem 35: 1526-35 (1992) BindingDB Entry DOI: 10.7270/Q2XG9Q38
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000573 (6-{6-[2-(2-Hydroxy-ethyl)-piperidin-4-yl]-hexyloxy...) Show SMILES OCCC1CC(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CCN1 Show InChI InChI=1S/C28H35NO4/c30-16-14-23-18-21(13-15-29-23)8-4-1-2-7-17-32-24-11-12-27-25(19-24)26(31)20-28(33-27)22-9-5-3-6-10-22/h3,5-6,9-12,19-21,23,29-30H,1-2,4,7-8,13-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Nova Pharmaceutical Corporation Curated by ChEMBL					Assay Description Potency at the sigma binding site was determined in radioligand				J Med Chem 35: 1526-35 (1992) BindingDB Entry DOI: 10.7270/Q2XG9Q38
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000573 (6-{6-[2-(2-Hydroxy-ethyl)-piperidin-4-yl]-hexyloxy...) Show SMILES OCCC1CC(CCCCCCOc2ccc3oc(cc(=O)c3c2)-c2ccccc2)CCN1 Show InChI InChI=1S/C28H35NO4/c30-16-14-23-18-21(13-15-29-23)8-4-1-2-7-17-32-24-11-12-27-25(19-24)26(31)20-28(33-27)22-9-5-3-6-10-22/h3,5-6,9-12,19-21,23,29-30H,1-2,4,7-8,13-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Nova Pharmaceutical Corporation Curated by ChEMBL					Assay Description Potency at the sigma binding site was determined in radioligand				J Med Chem 35: 1526-35 (1992) BindingDB Entry DOI: 10.7270/Q2XG9Q38
					More data for this Ligand-Target Pair