null

SMILES: CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2ccc(F)cc2)CC1

InChI Key: InChIKey=WYPLTVNNEJMOPP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50236812   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50236812 (CHEMBL4070284) Show SMILES CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H22FN3O2S/c1-22-10-12-23(13-11-22)14-16-15-24(20-5-3-2-4-19(16)20)27(25,26)18-8-6-17(21)7-9-18/h2-9,15H,10-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins				J Med Chem 60: 1843-1859 (2017) Article DOI: 10.1021/acs.jmedchem.6b01662 BindingDB Entry DOI: 10.7270/Q27S7R1X
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50236812 (CHEMBL4070284) Show SMILES CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H22FN3O2S/c1-22-10-12-23(13-11-22)14-16-15-24(20-5-3-2-4-19(16)20)27(25,26)18-8-6-17(21)7-9-18/h2-9,15H,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS analysis				J Med Chem 60: 1843-1859 (2017) Article DOI: 10.1021/acs.jmedchem.6b01662 BindingDB Entry DOI: 10.7270/Q27S7R1X
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50236812 (CHEMBL4070284) Show SMILES CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H22FN3O2S/c1-22-10-12-23(13-11-22)14-16-15-24(20-5-3-2-4-19(16)20)27(25,26)18-8-6-17(21)7-9-18/h2-9,15H,10-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH by LC-MS/MS analysis				J Med Chem 60: 1843-1859 (2017) Article DOI: 10.1021/acs.jmedchem.6b01662 BindingDB Entry DOI: 10.7270/Q27S7R1X
					More data for this Ligand-Target Pair