BDBM50152846 CHEMBL3780506

SMILES: CCCOc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1OC

InChI Key: InChIKey=WWLFCQLHCAEMAP-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 = 50152846   

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(1A) dopamine receptor (Homo sapiens (Human))	BDBM50152846 (CHEMBL3780506) Show SMILES CCCOc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1OC Show InChI InChI=1S/C22H27NO4/c1-4-9-27-20-6-5-14-10-18-16-12-19(24)21(25-2)11-15(16)7-8-23(18)13-17(14)22(20)26-3/h5-6,11-12,18,24H,4,7-10,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.80	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(3) dopamine receptor (Homo sapiens (Human))	BDBM50152846 (CHEMBL3780506) Show SMILES CCCOc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1OC Show InChI InChI=1S/C22H27NO4/c1-4-9-27-20-6-5-14-10-18-16-12-19(24)21(25-2)11-15(16)7-8-23(18)13-17(14)22(20)26-3/h5-6,11-12,18,24H,4,7-10,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	53	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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50152846 (CHEMBL3780506) Show SMILES CCCOc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1OC Show InChI InChI=1S/C22H27NO4/c1-4-9-27-20-6-5-14-10-18-16-12-19(24)21(25-2)11-15(16)7-8-23(18)13-17(14)22(20)26-3/h5-6,11-12,18,24H,4,7-10,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	57	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50152846 (CHEMBL3780506) Show SMILES CCCOc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1OC Show InChI InChI=1S/C22H27NO4/c1-4-9-27-20-6-5-14-10-18-16-12-19(24)21(25-2)11-15(16)7-8-23(18)13-17(14)22(20)26-3/h5-6,11-12,18,24H,4,7-10,13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	99	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