BDBM50003037 2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-1-yl)-ethylamine::CHEMBL25800

SMILES: Cn1cc(CCN)c2c3CCCOc3ccc12

InChI Key: InChIKey=CCGPJPFGXFZHAJ-UHFFFAOYSA-N

Data: 3 KI  7 IC50  1 EC50

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 11 hits for monomerid = 50003037   

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))	BDBM50003037 (2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...) Show SMILES Cn1cc(CCN)c2c3CCCOc3ccc12 Show InChI InChI=1S/C14H18N2O/c1-16-9-10(6-7-15)14-11-3-2-8-17-13(11)5-4-12(14)16/h4-5,9H,2-3,6-8,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory constant against [125I]DOI binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex				J Med Chem 46: 4188-95 (2003) Article DOI: 10.1021/jm030205t BindingDB Entry DOI: 10.7270/Q2Z320C1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50003037 (2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...) Show SMILES Cn1cc(CCN)c2c3CCCOc3ccc12 Show InChI InChI=1S/C14H18N2O/c1-16-9-10(6-7-15)14-11-3-2-8-17-13(11)5-4-12(14)16/h4-5,9H,2-3,6-8,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd. Curated by ChEMBL					Assay Description Inhibitory constant determined against cloned human 5-hydroxytryptamine 2A receptor using with [125I]- DOI radioligand				J Med Chem 46: 4188-95 (2003) Article DOI: 10.1021/jm030205t BindingDB Entry DOI: 10.7270/Q2Z320C1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50003037 (2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...) Show SMILES Cn1cc(CCN)c2c3CCCOc3ccc12 Show InChI InChI=1S/C14H18N2O/c1-16-9-10(6-7-15)14-11-3-2-8-17-13(11)5-4-12(14)16/h4-5,9H,2-3,6-8,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lausanne Curated by ChEMBL					Assay Description Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement				J Med Chem 39: 126-34 (1996) Article DOI: 10.1021/jm950410b BindingDB Entry DOI: 10.7270/Q2VX0K7V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50003037 (2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...) Show SMILES Cn1cc(CCN)c2c3CCCOc3ccc12 Show InChI InChI=1S/C14H18N2O/c1-16-9-10(6-7-15)14-11-3-2-8-17-13(11)5-4-12(14)16/h4-5,9H,2-3,6-8,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	213	n/a	n/a	n/a	n/a
Alcon Research, Ltd. Curated by ChEMBL					Assay Description In vitro relative agonist activity against 5-hydroxytryptamine 2A using PI assay in rat vascular smooth muscle cells				J Med Chem 46: 4188-95 (2003) Article DOI: 10.1021/jm030205t BindingDB Entry DOI: 10.7270/Q2Z320C1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50003037 (2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...) Show SMILES Cn1cc(CCN)c2c3CCCOc3ccc12 Show InChI InChI=1S/C14H18N2O/c1-16-9-10(6-7-15)14-11-3-2-8-17-13(11)5-4-12(14)16/h4-5,9H,2-3,6-8,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125I]DOI binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex				J Med Chem 46: 4188-95 (2003) Article DOI: 10.1021/jm030205t BindingDB Entry DOI: 10.7270/Q2Z320C1
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50003037 (2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...) Show SMILES Cn1cc(CCN)c2c3CCCOc3ccc12 Show InChI InChI=1S/C14H18N2O/c1-16-9-10(6-7-15)14-11-3-2-8-17-13(11)5-4-12(14)16/h4-5,9H,2-3,6-8,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards 5-hydroxytryptamine 2 receptor in rat anterior cortex using [125I]DOI as radioligand				J Med Chem 35: 3625-32 (1992) BindingDB Entry DOI: 10.7270/Q2125RK7
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50003037 (2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...) Show SMILES Cn1cc(CCN)c2c3CCCOc3ccc12 Show InChI InChI=1S/C14H18N2O/c1-16-9-10(6-7-15)14-11-3-2-8-17-13(11)5-4-12(14)16/h4-5,9H,2-3,6-8,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards 5-hydroxytryptamine 2 receptor in rat anterior cortex using [3H]ketanserin as radioligand				J Med Chem 35: 3625-32 (1992) BindingDB Entry DOI: 10.7270/Q2125RK7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50003037 (2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...) Show SMILES Cn1cc(CCN)c2c3CCCOc3ccc12 Show InChI InChI=1S/C14H18N2O/c1-16-9-10(6-7-15)14-11-3-2-8-17-13(11)5-4-12(14)16/h4-5,9H,2-3,6-8,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH-DPAT as radioligand				J Med Chem 35: 3625-32 (1992) BindingDB Entry DOI: 10.7270/Q2125RK7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50003037 (2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...) Show SMILES Cn1cc(CCN)c2c3CCCOc3ccc12 Show InChI InChI=1S/C14H18N2O/c1-16-9-10(6-7-15)14-11-3-2-8-17-13(11)5-4-12(14)16/h4-5,9H,2-3,6-8,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]- serotonin as radioligand				J Med Chem 35: 3625-32 (1992) BindingDB Entry DOI: 10.7270/Q2125RK7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50003037 (2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...) Show SMILES Cn1cc(CCN)c2c3CCCOc3ccc12 Show InChI InChI=1S/C14H18N2O/c1-16-9-10(6-7-15)14-11-3-2-8-17-13(11)5-4-12(14)16/h4-5,9H,2-3,6-8,15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1C receptor in pig choroid plexus using [3H]-mesulergine as radioligand				J Med Chem 35: 3625-32 (1992) BindingDB Entry DOI: 10.7270/Q2125RK7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50003037 (2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...) Show SMILES Cn1cc(CCN)c2c3CCCOc3ccc12 Show InChI InChI=1S/C14H18N2O/c1-16-9-10(6-7-15)14-11-3-2-8-17-13(11)5-4-12(14)16/h4-5,9H,2-3,6-8,15H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against [3H]8-OH-DPAT binding to cloned human 5-hydroxytryptamine 1A receptor				J Med Chem 46: 4188-95 (2003) Article DOI: 10.1021/jm030205t BindingDB Entry DOI: 10.7270/Q2Z320C1
					More data for this Ligand-Target Pair