Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50003039'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50003039 (2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...) Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12 Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	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))	BDBM50003039 (2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...) Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12 Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	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 2A (Rattus norvegicus (rat))	BDBM50003039 (2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...) Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12 Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50003039 (2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...) Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12 Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2	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	181	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