Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50223745'   

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))	BDBM50223745 (CHEMBL153956) Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)Cc2c1 Show InChI InChI=1S/C24H26FNO3/c1-29-21-6-7-22-19(14-21)12-16(13-23(22)27)15-26-10-8-18(9-11-26)24(28)17-2-4-20(25)5-3-17/h2-7,14,16,18H,8-13,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	11	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))	BDBM50223745 (CHEMBL153956) Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)Cc2c1 Show InChI InChI=1S/C24H26FNO3/c1-29-21-6-7-22-19(14-21)12-16(13-23(22)27)15-26-10-8-18(9-11-26)24(28)17-2-4-20(25)5-3-17/h2-7,14,16,18H,8-13,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	11.2	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))	BDBM50223745 (CHEMBL153956) Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)Cc2c1 Show InChI InChI=1S/C24H26FNO3/c1-29-21-6-7-22-19(14-21)12-16(13-23(22)27)15-26-10-8-18(9-11-26)24(28)17-2-4-20(25)5-3-17/h2-7,14,16,18H,8-13,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	17.8	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