Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50313269'   

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))	BDBM50313269 (CHEMBL1086756 | N-(3-(4-(2,3-Dichlorophenyl)pipera...) Show SMILES CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C28H34Cl2N4O/c1-3-14-34-21(2)23(20-26(34)22-9-5-4-6-10-22)28(35)31-13-8-15-32-16-18-33(19-17-32)25-12-7-11-24(29)27(25)30/h4-7,9-12,20H,3,8,13-19H2,1-2H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A expressed in CHOK1 cells				Bioorg Med Chem 18: 6156-69 (2010) Article DOI: 10.1016/j.bmc.2010.06.037 BindingDB Entry DOI: 10.7270/Q2W0964C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50313269 (CHEMBL1086756 | N-(3-(4-(2,3-Dichlorophenyl)pipera...) Show SMILES CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C28H34Cl2N4O/c1-3-14-34-21(2)23(20-26(34)22-9-5-4-6-10-22)28(35)31-13-8-15-32-16-18-33(19-17-32)25-12-7-11-24(29)27(25)30/h4-7,9-12,20H,3,8,13-19H2,1-2H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cells after 60 mins				Bioorg Med Chem Lett 20: 1705-11 (2010) Article DOI: 10.1016/j.bmcl.2010.01.093 BindingDB Entry DOI: 10.7270/Q2SN093C
					More data for this Ligand-Target Pair