Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50064703'   

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))	BDBM50064703 ((R)-2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-...) Show SMILES C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12 Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding ability of compound at cloned human 5-hydroxytryptamine 2A receptor using [125 I]DOI as radioligand				J Med Chem 41: 2134-45 (1998) Article DOI: 10.1021/jm980076u BindingDB Entry DOI: 10.7270/Q2XD10T8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50064703 ((R)-2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-...) Show SMILES C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12 Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding ability of compound at cloned human 5-hydroxytryptamine 2A receptor using [3H]-ketanserin as radioligand				J Med Chem 41: 2134-45 (1998) Article DOI: 10.1021/jm980076u BindingDB Entry DOI: 10.7270/Q2XD10T8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50064703 ((R)-2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-...) Show SMILES C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12 Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3/t7-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Affinity at [3H]-ketanserin-labeled 5-hydroxytryptamine 2A receptor in rat brain homogenate was determined				J Med Chem 41: 2134-45 (1998) Article DOI: 10.1021/jm980076u BindingDB Entry DOI: 10.7270/Q2XD10T8
					More data for this Ligand-Target Pair