Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serotonin 2 (5-HT2) receptor' and Ligand = 'BDBM50002006'   

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
Serotonin 2 (5-HT2) receptor (RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)	BDBM50002006 (1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-y...) Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCN(C3=O)c3ccccc3)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C30H30ClFN4O/c31-23-6-11-29-27(20-23)28(21-36(29)26-9-7-24(32)8-10-26)22-12-14-33(15-13-22)16-17-34-18-19-35(30(34)37)25-4-2-1-3-5-25/h1-11,20-22H,12-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of [3H]ketanserin binding to rat 5-hydroxytryptamine 2 receptors.				J Med Chem 35: 1092-101 (1992) BindingDB Entry DOI: 10.7270/Q2Z89BB3
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