Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50172442'   

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 2C (Homo sapiens (Human))	BDBM50172442 ((E)-N-[2-(2-Dimethylamino-ethylamino)-4-methyl-qui...) Show SMILES CN(C)CCNc1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1 Show InChI InChI=1S/C24H25F3N4O2/c1-16-14-22(28-12-13-31(2)3)30-21-10-7-18(15-20(16)21)29-23(32)11-6-17-4-8-19(9-5-17)33-24(25,26)27/h4-11,14-15H,12-13H2,1-3H3,(H,28,30)(H,29,32)/b11-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
7TM Pharma A/S Curated by ChEMBL					Assay Description Inhibitory concentration against human 5-hydroxytryptamine 2C receptor expressed in CHO-K1 cells using [3H]-mesulergine				J Med Chem 48: 5684-97 (2005) Article DOI: 10.1021/jm050103y BindingDB Entry DOI: 10.7270/Q2H41QZ8
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