Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM322113'   

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))	BDBM322113 (1-{5-[1-(3-Chlorophenyl)ethoxy]-1-(cyclohexylmethy...) Show SMILES CNCc1cc(OC(C)c2cccc(Cl)c2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C20H28ClN3O/c1-15(17-9-6-10-18(21)11-17)25-20-12-19(13-22-2)23-24(20)14-16-7-4-3-5-8-16/h6,9-12,15-16,22H,3-5,7-8,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7KTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322113 (1-{5-[1-(3-Chlorophenyl)ethoxy]-1-(cyclohexylmethy...) Show SMILES CNCc1cc(OC(C)c2cccc(Cl)c2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C20H28ClN3O/c1-15(17-9-6-10-18(21)11-17)25-20-12-19(13-22-2)23-24(20)14-16-7-4-3-5-8-16/h6,9-12,15-16,22H,3-5,7-8,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair