Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM322126'   

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))	BDBM322126 (1-(5-[(5-chloro-2-fluorobenzyl)oxy]-1-{[1-(trifluo...) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2(CCCC2)C(F)(F)F)n1 Show InChI InChI=1S/C19H22ClF4N3O/c1-25-10-15-9-17(28-11-13-8-14(20)4-5-16(13)21)27(26-15)12-18(19(22,23)24)6-2-3-7-18/h4-5,8-9,25H,2-3,6-7,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.80	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))	BDBM322126 (1-(5-[(5-chloro-2-fluorobenzyl)oxy]-1-{[1-(trifluo...) Show SMILES CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2(CCCC2)C(F)(F)F)n1 Show InChI InChI=1S/C19H22ClF4N3O/c1-25-10-15-9-17(28-11-13-8-14(20)4-5-16(13)21)27(26-15)12-18(19(22,23)24)6-2-3-7-18/h4-5,8-9,25H,2-3,6-7,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.80	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