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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50402702   

Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Suven Life Sciences Limited

Curated by ChEMBL
LigandPNGBDBM50402702(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
Affinity DataKi:  1.43nMAssay Description:Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Suven Life Sciences Limited

Curated by ChEMBL
LigandPNGBDBM50402702(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
Affinity DataIC50: 135nMAssay Description:Antagonist activity at recombinant human 5HT6 receptor expressed in CHO cells assessed as inhibition of 5HT-stimulated cAMP accumulation after 4 hrs ...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Suven Life Sciences Limited

Curated by ChEMBL
LigandPNGBDBM50402702(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
Affinity DataIC50: 1.95E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins in presence of NADPHMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Suven Life Sciences Limited

Curated by ChEMBL
LigandPNGBDBM50402702(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
Affinity DataIC50: 3.60E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 5 mins in presence of NADPHMore data for this Ligand-Target Pair