Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50409491'   

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))	BDBM50409491 (CHEMBL95098) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2Cc3ccccc3C2=O)CC1 Show InChI InChI=1S/C25H29FN2O2/c26-22-9-7-19(8-10-22)24(29)6-3-12-27-14-16-28(17-15-27)13-11-21-18-20-4-1-2-5-23(20)25(21)30/h1-2,4-5,7-10,21H,3,6,11-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Kinetic inhibition constant evaluated by measuring serotonergic activity				J Med Chem 43: 3233-43 (2000) Article DOI: 10.1021/jm000941m BindingDB Entry DOI: 10.7270/Q2QJ7M2N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409491 (CHEMBL95098) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2Cc3ccccc3C2=O)CC1 Show InChI InChI=1S/C25H29FN2O2/c26-22-9-7-19(8-10-22)24(29)6-3-12-27-14-16-28(17-15-27)13-11-21-18-20-4-1-2-5-23(20)25(21)30/h1-2,4-5,7-10,21H,3,6,11-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description In vitro ability to displace [3H]ketanserin binding from 5-hydroxytryptamine 2A receptor in rat striatal membrane.				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair