Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50156185'   

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))	BDBM50156185 ((1S,2R)-2-(4-Bromo-2,5-dimethoxy-phenyl)-2-methoxy...) Show SMILES CO[C@@H]([C@H](C)N)c1cc(OC)c(Br)cc1OC Show InChI InChI=1S/C12H18BrNO3/c1-7(14)12(17-4)8-5-11(16-3)9(13)6-10(8)15-2/h5-7,12H,14H2,1-4H3/t7-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [125I](+/-)DOI from rat 5HT2A after 1 hr by beta scintillation counting method				J Med Chem 60: 2605-2628 (2017) Article DOI: 10.1021/acs.jmedchem.7b00085 BindingDB Entry DOI: 10.7270/Q2DJ5HWM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50156185 ((1S,2R)-2-(4-Bromo-2,5-dimethoxy-phenyl)-2-methoxy...) Show SMILES CO[C@@H]([C@H](C)N)c1cc(OC)c(Br)cc1OC Show InChI InChI=1S/C12H18BrNO3/c1-7(14)12(17-4)8-5-11(16-3)9(13)6-10(8)15-2/h5-7,12H,14H2,1-4H3/t7-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity for 5-HT2A serotonin receptor				J Med Chem 47: 6034-41 (2004) Article DOI: 10.1021/jm040082s BindingDB Entry DOI: 10.7270/Q2R78DQ8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50156185 ((1S,2R)-2-(4-Bromo-2,5-dimethoxy-phenyl)-2-methoxy...) Show SMILES CO[C@@H]([C@H](C)N)c1cc(OC)c(Br)cc1OC Show InChI InChI=1S/C12H18BrNO3/c1-7(14)12(17-4)8-5-11(16-3)9(13)6-10(8)15-2/h5-7,12H,14H2,1-4H3/t7-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.04E+3	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Serotonin 5-HT2A receptor-mediated intracellular calcium [Ca2+] mobilization in rat A7r5 cells				J Med Chem 47: 6034-41 (2004) Article DOI: 10.1021/jm040082s BindingDB Entry DOI: 10.7270/Q2R78DQ8
					More data for this Ligand-Target Pair