Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50038687'   

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 (Homo sapiens (Human))	BDBM50038687 (CHEMBL58133 | [2-(5-Methoxy-1H-indol-3-yl)-ethyl]-...) Show SMILES COc1ccc2[nH]cc(CCNCCCCc3ccccc3)c2c1 Show InChI InChI=1S/C21H26N2O/c1-24-19-10-11-21-20(15-19)18(16-23-21)12-14-22-13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15-16,22-23H,5-6,9,12-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.				J Med Chem 37: 1929-35 (1994) BindingDB Entry DOI: 10.7270/Q2GQ6WT0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50038687 (CHEMBL58133 | [2-(5-Methoxy-1H-indol-3-yl)-ethyl]-...) Show SMILES COc1ccc2[nH]cc(CCNCCCCc3ccccc3)c2c1 Show InChI InChI=1S/C21H26N2O/c1-24-19-10-11-21-20(15-19)18(16-23-21)12-14-22-13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15-16,22-23H,5-6,9,12-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity against 5-hydroxytryptamine 2A receptor (K) labeled with [3H]-ketanserin.				J Med Chem 37: 1929-35 (1994) BindingDB Entry DOI: 10.7270/Q2GQ6WT0
					More data for this Ligand-Target Pair