Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50131083'   

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))	BDBM50131083 (3-(3-Phenylpropyl)-9-aminomethyl-9,10-dihydroanthr...) Show SMILES NCC1c2ccccc2Cc2cc(CCCc3ccccc3)ccc12 Show InChI InChI=1S/C24H25N/c25-17-24-22-12-5-4-11-20(22)16-21-15-19(13-14-23(21)24)10-6-9-18-7-2-1-3-8-18/h1-5,7-8,11-15,24H,6,9-10,16-17,25H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	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 [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells				J Med Chem 51: 6808-28 (2008) Article DOI: 10.1021/jm800771x BindingDB Entry DOI: 10.7270/Q2KD1ZTR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50131083 (3-(3-Phenylpropyl)-9-aminomethyl-9,10-dihydroanthr...) Show SMILES NCC1c2ccccc2Cc2cc(CCCc3ccccc3)ccc12 Show InChI InChI=1S/C24H25N/c25-17-24-22-12-5-4-11-20(22)16-21-15-19(13-14-23(21)24)10-6-9-18-7-2-1-3-8-18/h1-5,7-8,11-15,24H,6,9-10,16-17,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	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 towards 5-hydroxytryptamine 2A receptor sites by using [3H]-Ketanserin as radioligand				Bioorg Med Chem Lett 13: 2565-8 (2003) BindingDB Entry DOI: 10.7270/Q2V40TK9
					More data for this Ligand-Target Pair