BDBM50349870 CHEMBL1813594

SMILES: COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1

InChI Key: InChIKey=CRVXXEZDJABOJD-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 = 50349870   

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 (Homo sapiens (Human))	BDBM50349870 (CHEMBL1813594) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C24H29N3O3/c1-29-23-7-3-2-6-22(23)27-15-13-26(14-16-27)12-4-5-17-30-20-10-8-19-9-11-24(28)25-21(19)18-20/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	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(3) dopamine receptor (Homo sapiens (Human))	BDBM50349870 (CHEMBL1813594) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C24H29N3O3/c1-29-23-7-3-2-6-22(23)27-15-13-26(14-16-27)12-4-5-17-30-20-10-8-19-9-11-24(28)25-21(19)18-20/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	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 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(4) dopamine receptor (Homo sapiens (Human))	BDBM50349870 (CHEMBL1813594) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C24H29N3O3/c1-29-23-7-3-2-6-22(23)27-15-13-26(14-16-27)12-4-5-17-30-20-10-8-19-9-11-24(28)25-21(19)18-20/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.1	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))	BDBM50349870 (CHEMBL1813594) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C24H29N3O3/c1-29-23-7-3-2-6-22(23)27-15-13-26(14-16-27)12-4-5-17-30-20-10-8-19-9-11-24(28)25-21(19)18-20/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.63E+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