BDBM50349875 CHEMBL1813599

SMILES: COc1ccccc1N1CCN(CCCCCOc2ccc3ccc(=O)[nH]c3c2)CC1

InChI Key: InChIKey=ODTODLDORHJDOK-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 = 50349875   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50349875 (CHEMBL1813599) Show SMILES COc1ccccc1N1CCN(CCCCCOc2ccc3ccc(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C25H31N3O3/c1-30-24-8-4-3-7-23(24)28-16-14-27(15-17-28)13-5-2-6-18-31-21-11-9-20-10-12-25(29)26-22(20)19-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human recombinant D3 receptor expressed in HEK cells after 60 mins by gamma counter				Bioorg Med Chem 19: 3502-11 (2011) Article DOI: 10.1016/j.bmc.2011.04.021 BindingDB Entry DOI: 10.7270/Q25X2990
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50349875 (CHEMBL1813599) Show SMILES COc1ccccc1N1CCN(CCCCCOc2ccc3ccc(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C25H31N3O3/c1-30-24-8-4-3-7-23(24)28-16-14-27(15-17-28)13-5-2-6-18-31-21-11-9-20-10-12-25(29)26-22(20)19-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter				Bioorg Med Chem 19: 3502-11 (2011) Article DOI: 10.1016/j.bmc.2011.04.021 BindingDB Entry DOI: 10.7270/Q25X2990
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50349875 (CHEMBL1813599) Show SMILES COc1ccccc1N1CCN(CCCCCOc2ccc3ccc(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C25H31N3O3/c1-30-24-8-4-3-7-23(24)28-16-14-27(15-17-28)13-5-2-6-18-31-21-11-9-20-10-12-25(29)26-22(20)19-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3,(H,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human recombinant D4 receptor expressed in HEK cells after 60 mins by gamma counter				Bioorg Med Chem 19: 3502-11 (2011) Article DOI: 10.1016/j.bmc.2011.04.021 BindingDB Entry DOI: 10.7270/Q25X2990
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50349875 (CHEMBL1813599) Show SMILES COc1ccccc1N1CCN(CCCCCOc2ccc3ccc(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C25H31N3O3/c1-30-24-8-4-3-7-23(24)28-16-14-27(15-17-28)13-5-2-6-18-31-21-11-9-20-10-12-25(29)26-22(20)19-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from guinea pig brain sigma-1 receptor after 90 mins by liquid scintillation counter				Bioorg Med Chem 19: 3502-11 (2011) Article DOI: 10.1016/j.bmc.2011.04.021 BindingDB Entry DOI: 10.7270/Q25X2990
					More data for this Ligand-Target Pair