BDBM50014990 1-(2,5-dimethoxy-4-(3-phenylpropyl)phenyl)propan-2-amine::2-[2,5-Dimethoxy-4-(3-phenyl-propyl)-phenyl]-1-methyl-ethylamine::CHEMBL8334

SMILES: COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1

InChI Key: InChIKey=XKCYCNKOOGOHIQ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50014990   

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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50014990 (1-(2,5-dimethoxy-4-(3-phenylpropyl)phenyl)propan-2...) Show SMILES COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1 Show InChI InChI=1S/C20H27NO2/c1-15(21)12-18-14-19(22-2)17(13-20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor sites by using [3H]-Ketanserin as radioligand				Bioorg Med Chem Lett 13: 2565-8 (2003) BindingDB Entry DOI: 10.7270/Q2V40TK9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50014990 (1-(2,5-dimethoxy-4-(3-phenylpropyl)phenyl)propan-2...) Show SMILES COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1 Show InChI InChI=1S/C20H27NO2/c1-15(21)12-18-14-19(22-2)17(13-20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells				J Med Chem 51: 6808-28 (2008) Article DOI: 10.1021/jm800771x BindingDB Entry DOI: 10.7270/Q2KD1ZTR
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50014990 (1-(2,5-dimethoxy-4-(3-phenylpropyl)phenyl)propan-2...) Show SMILES COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1 Show InChI InChI=1S/C20H27NO2/c1-15(21)12-18-14-19(22-2)17(13-20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2 receptor of rat frontal cortex using [3H]ketanserin radioligand				J Med Chem 33: 1032-6 (1990) BindingDB Entry DOI: 10.7270/Q2319Z37
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50014990 (1-(2,5-dimethoxy-4-(3-phenylpropyl)phenyl)propan-2...) Show SMILES COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1 Show InChI InChI=1S/C20H27NO2/c1-15(21)12-18-14-19(22-2)17(13-20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat 5HT2A expressed in mouse NIH/3T3 cell membranes after 30 mins by scintillation counting method				J Med Chem 60: 2605-2628 (2017) Article DOI: 10.1021/acs.jmedchem.7b00085 BindingDB Entry DOI: 10.7270/Q2DJ5HWM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50014990 (1-(2,5-dimethoxy-4-(3-phenylpropyl)phenyl)propan-2...) Show SMILES COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1 Show InChI InChI=1S/C20H27NO2/c1-15(21)12-18-14-19(22-2)17(13-20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]-Ketanserin as radioligand				J Med Chem 44: 3283-91 (2001) BindingDB Entry DOI: 10.7270/Q2MW2GFJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50014990 (1-(2,5-dimethoxy-4-(3-phenylpropyl)phenyl)propan-2...) Show SMILES COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1 Show InChI InChI=1S/C20H27NO2/c1-15(21)12-18-14-19(22-2)17(13-20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor				J Med Chem 43: 3074-84 (2000) BindingDB Entry DOI: 10.7270/Q2NZ86VW
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50014990 (1-(2,5-dimethoxy-4-(3-phenylpropyl)phenyl)propan-2...) Show SMILES COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1 Show InChI InChI=1S/C20H27NO2/c1-15(21)12-18-14-19(22-2)17(13-20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from A9 cells stably expressing rat 5-hydroxytryptamine 2C receptor				J Med Chem 43: 3074-84 (2000) BindingDB Entry DOI: 10.7270/Q2NZ86VW
					More data for this Ligand-Target Pair