BDBM50140067 CHEMBL3753681

SMILES: CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(Cl)c1

InChI Key: InChIKey=WNRPNBOORDHFSF-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 = 50140067   

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))	BDBM50140067 (CHEMBL3753681) Show SMILES CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C27H33ClN4O2S/c1-29(2)15-20-32(22-23-7-4-3-5-8-23)35(33,34)27-13-11-25(12-14-27)30-16-18-31(19-17-30)26-10-6-9-24(28)21-26/h3-14,21H,15-20,22H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	8.10	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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50140067 (CHEMBL3753681) Show SMILES CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C27H33ClN4O2S/c1-29(2)15-20-32(22-23-7-4-3-5-8-23)35(33,34)27-13-11-25(12-14-27)30-16-18-31(19-17-30)26-10-6-9-24(28)21-26/h3-14,21H,15-20,22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.90	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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50140067 (CHEMBL3753681) Show SMILES CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C27H33ClN4O2S/c1-29(2)15-20-32(22-23-7-4-3-5-8-23)35(33,34)27-13-11-25(12-14-27)30-16-18-31(19-17-30)26-10-6-9-24(28)21-26/h3-14,21H,15-20,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	30	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