Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM322109'   

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))	BDBM322109 (N-({1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)ox...) Show SMILES Fc1ccc(F)c(COc2cc(CNC3CC3)nn2CC2CCCCC2)c1 Show InChI InChI=1S/C21H27F2N3O/c22-17-6-9-20(23)16(10-17)14-27-21-11-19(12-24-18-7-8-18)25-26(21)13-15-4-2-1-3-5-15/h6,9-11,15,18,24H,1-5,7-8,12-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	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 (Human))	BDBM322109 (N-({1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)ox...) Show SMILES Fc1ccc(F)c(COc2cc(CNC3CC3)nn2CC2CCCCC2)c1 Show InChI InChI=1S/C21H27F2N3O/c22-17-6-9-20(23)16(10-17)14-27-21-11-19(12-24-18-7-8-18)25-26(21)13-15-4-2-1-3-5-15/h6,9-11,15,18,24H,1-5,7-8,12-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	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))	BDBM322109 (N-({1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)ox...) Show SMILES Fc1ccc(F)c(COc2cc(CNC3CC3)nn2CC2CCCCC2)c1 Show InChI InChI=1S/C21H27F2N3O/c22-17-6-9-20(23)16(10-17)14-27-21-11-19(12-24-18-7-8-18)25-26(21)13-15-4-2-1-3-5-15/h6,9-11,15,18,24H,1-5,7-8,12-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	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