Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50223743'   

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))	BDBM50223743 (CHEMBL421801) Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1 Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 14: 585-9 (2004) BindingDB Entry DOI: 10.7270/Q2VT1V9D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50223743 (CHEMBL421801) Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1 Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 14: 585-9 (2004) BindingDB Entry DOI: 10.7270/Q2VT1V9D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50223743 (CHEMBL421801) Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1 Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 14: 585-9 (2004) BindingDB Entry DOI: 10.7270/Q2VT1V9D
					More data for this Ligand-Target Pair