BDBM50140064 CHEMBL3752844

SMILES: CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc3n(C)ccc3c2)cc1

InChI Key: InChIKey=LWBGVKUDZVPHDA-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50140064   

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
Serotonin (5-HT) receptor (Rattus norvegicus (Rat))	BDBM50140064 (CHEMBL3752844) Show SMILES CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc3n(C)ccc3c2)cc1 Show InChI InChI=1S/C27H31N5O3S/c1-30(2)17-18-32(20-21-7-5-4-6-8-21)36(34,35)25-12-9-23(10-13-25)28-27(33)29-24-11-14-26-22(19-24)15-16-31(26)3/h4-16,19H,17-18,20H2,1-3H3,(H2,28,29,33)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 26: 914-20 (2016) BindingDB Entry DOI: 10.7270/Q2VX0JC7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50140064 (CHEMBL3752844) Show SMILES CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc3n(C)ccc3c2)cc1 Show InChI InChI=1S/C27H31N5O3S/c1-30(2)17-18-32(20-21-7-5-4-6-8-21)36(34,35)25-12-9-23(10-13-25)28-27(33)29-24-11-14-26-22(19-24)15-16-31(26)3/h4-16,19H,17-18,20H2,1-3H3,(H2,28,29,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 26: 914-20 (2016) BindingDB Entry DOI: 10.7270/Q2VX0JC7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50140064 (CHEMBL3752844) Show SMILES CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc3n(C)ccc3c2)cc1 Show InChI InChI=1S/C27H31N5O3S/c1-30(2)17-18-32(20-21-7-5-4-6-8-21)36(34,35)25-12-9-23(10-13-25)28-27(33)29-24-11-14-26-22(19-24)15-16-31(26)3/h4-16,19H,17-18,20H2,1-3H3,(H2,28,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A in Wistar rat frontal cortex membranes after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 26: 914-20 (2016) BindingDB Entry DOI: 10.7270/Q2VX0JC7
					More data for this Ligand-Target Pair