BDBM50152839 CHEMBL3780438

SMILES: COc1cc(CCN(C)Cc2cccc(O)c2OC)ccc1O

InChI Key: InChIKey=MOZKRTYYLZZUTA-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50152839   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50152839 (CHEMBL3780438) Show SMILES COc1cc(CCN(C)Cc2cccc(O)c2OC)ccc1O Show InChI InChI=1S/C18H23NO4/c1-19(12-14-5-4-6-16(21)18(14)23-3)10-9-13-7-8-15(20)17(11-13)22-2/h4-8,11,20-21H,9-10,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from human sigma1 receptor by PDSP assay				Bioorg Med Chem 24: 2060-71 (2016) BindingDB Entry DOI: 10.7270/Q2SX6G3G
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50152839 (CHEMBL3780438) Show SMILES COc1cc(CCN(C)Cc2cccc(O)c2OC)ccc1O Show InChI InChI=1S/C18H23NO4/c1-19(12-14-5-4-6-16(21)18(14)23-3)10-9-13-7-8-15(20)17(11-13)22-2/h4-8,11,20-21H,9-10,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by PDSP assay				Bioorg Med Chem 24: 2060-71 (2016) BindingDB Entry DOI: 10.7270/Q2SX6G3G
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50152839 (CHEMBL3780438) Show SMILES COc1cc(CCN(C)Cc2cccc(O)c2OC)ccc1O Show InChI InChI=1S/C18H23NO4/c1-19(12-14-5-4-6-16(21)18(14)23-3)10-9-13-7-8-15(20)17(11-13)22-2/h4-8,11,20-21H,9-10,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]SCH2390 from human dopamine D1 receptor by PDSP assay				Bioorg Med Chem 24: 2060-71 (2016) BindingDB Entry DOI: 10.7270/Q2SX6G3G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50152839 (CHEMBL3780438) Show SMILES COc1cc(CCN(C)Cc2cccc(O)c2OC)ccc1O Show InChI InChI=1S/C18H23NO4/c1-19(12-14-5-4-6-16(21)18(14)23-3)10-9-13-7-8-15(20)17(11-13)22-2/h4-8,11,20-21H,9-10,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by PDSP assay				Bioorg Med Chem 24: 2060-71 (2016) BindingDB Entry DOI: 10.7270/Q2SX6G3G
					More data for this Ligand-Target Pair