Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM322101'   

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))	BDBM322101 (1-{1-(3,3-Dimethylbutyl)-5-[(2,4,5-trifluorobenzyl...) Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(CCC(C)(C)C)n1 Show InChI InChI=1S/C18H24F3N3O/c1-18(2,3)5-6-24-17(8-13(23-24)10-22-4)25-11-12-7-15(20)16(21)9-14(12)19/h7-9,22H,5-6,10-11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.90	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
5-hydroxytryptamine receptor 2C (Homo sapiens)	BDBM322101 (1-{1-(3,3-Dimethylbutyl)-5-[(2,4,5-trifluorobenzyl...) Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(CCC(C)(C)C)n1 Show InChI InChI=1S/C18H24F3N3O/c1-18(2,3)5-6-24-17(8-13(23-24)10-22-4)25-11-12-7-15(20)16(21)9-14(12)19/h7-9,22H,5-6,10-11H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5-HT2C: A solution containing 50 μL of [H]-mesulergine (GE Healthcare) diluted with 50 mmol/L Tris-HCl (pH=7.4) (the final concentration: about ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67MVZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322101 (1-{1-(3,3-Dimethylbutyl)-5-[(2,4,5-trifluorobenzyl...) Show SMILES CNCc1cc(OCc2cc(F)c(F)cc2F)n(CCC(C)(C)C)n1 Show InChI InChI=1S/C18H24F3N3O/c1-18(2,3)5-6-24-17(8-13(23-24)10-22-4)25-11-12-7-15(20)16(21)9-14(12)19/h7-9,22H,5-6,10-11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.90	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