BDBM50402702 CHEMBL2207386

SMILES: CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1

InChI Key: InChIKey=AGKMPGSBLMAGAX-UHFFFAOYSA-N

Data: 1 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50402702   

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))	BDBM50402702 (CHEMBL2207386) Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1 Show InChI InChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Limited Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 22: 7431-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.057 BindingDB Entry DOI: 10.7270/Q25140DD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50402702 (CHEMBL2207386) Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1 Show InChI InChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Limited Curated by ChEMBL					Assay Description Antagonist activity at recombinant human 5HT6 receptor expressed in CHO cells assessed as inhibition of 5HT-stimulated cAMP accumulation after 4 hrs ...				Bioorg Med Chem Lett 22: 7431-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.057 BindingDB Entry DOI: 10.7270/Q25140DD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50402702 (CHEMBL2207386) Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1 Show InChI InChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins in presence of NADPH				Bioorg Med Chem Lett 22: 7431-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.057 BindingDB Entry DOI: 10.7270/Q25140DD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50402702 (CHEMBL2207386) Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1 Show InChI InChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 5 mins in presence of NADPH				Bioorg Med Chem Lett 22: 7431-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.057 BindingDB Entry DOI: 10.7270/Q25140DD
					More data for this Ligand-Target Pair