BDBM50014997 1-(4-hexyl-2,5-dimethoxyphenyl)propan-2-amine::2-(4-Hexyl-2,5-dimethoxy-phenyl)-1-methyl-ethylamine::CHEMBL268890::DOHx

SMILES: CCCCCCc1cc(OC)c(CC(C)N)cc1OC

InChI Key: InChIKey=NICYQFWHLYLNFE-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 = 50014997   

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 (Homo sapiens (Human))	BDBM50014997 (1-(4-hexyl-2,5-dimethoxyphenyl)propan-2-amine | 2-...) Show SMILES CCCCCCc1cc(OC)c(CC(C)N)cc1OC Show InChI InChI=1S/C17H29NO2/c1-5-6-7-8-9-14-11-17(20-4)15(10-13(2)18)12-16(14)19-3/h11-13H,5-10,18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999) Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50014997 (1-(4-hexyl-2,5-dimethoxyphenyl)propan-2-amine | 2-...) Show SMILES CCCCCCc1cc(OC)c(CC(C)N)cc1OC Show InChI InChI=1S/C17H29NO2/c1-5-6-7-8-9-14-11-17(20-4)15(10-13(2)18)12-16(14)19-3/h11-13H,5-10,18H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999) Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50014997 (1-(4-hexyl-2,5-dimethoxyphenyl)propan-2-amine | 2-...) Show SMILES CCCCCCc1cc(OC)c(CC(C)N)cc1OC Show InChI InChI=1S/C17H29NO2/c1-5-6-7-8-9-14-11-17(20-4)15(10-13(2)18)12-16(14)19-3/h11-13H,5-10,18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	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))	BDBM50014997 (1-(4-hexyl-2,5-dimethoxyphenyl)propan-2-amine | 2-...) Show SMILES CCCCCCc1cc(OC)c(CC(C)N)cc1OC Show InChI InChI=1S/C17H29NO2/c1-5-6-7-8-9-14-11-17(20-4)15(10-13(2)18)12-16(14)19-3/h11-13H,5-10,18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	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))	BDBM50014997 (1-(4-hexyl-2,5-dimethoxyphenyl)propan-2-amine | 2-...) Show SMILES CCCCCCc1cc(OC)c(CC(C)N)cc1OC Show InChI InChI=1S/C17H29NO2/c1-5-6-7-8-9-14-11-17(20-4)15(10-13(2)18)12-16(14)19-3/h11-13H,5-10,18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	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
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50014997 (1-(4-hexyl-2,5-dimethoxyphenyl)propan-2-amine | 2-...) Show SMILES CCCCCCc1cc(OC)c(CC(C)N)cc1OC Show InChI InChI=1S/C17H29NO2/c1-5-6-7-8-9-14-11-17(20-4)15(10-13(2)18)12-16(14)19-3/h11-13H,5-10,18H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999) Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B) (RAT)	BDBM50014997 (1-(4-hexyl-2,5-dimethoxyphenyl)propan-2-amine | 2-...) Show SMILES CCCCCCc1cc(OC)c(CC(C)N)cc1OC Show InChI InChI=1S/C17H29NO2/c1-5-6-7-8-9-14-11-17(20-4)15(10-13(2)18)12-16(14)19-3/h11-13H,5-10,18H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999) Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09
					More data for this Ligand-Target Pair