BDBM50013071 CHEMBL3261688

SMILES: CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1)c1ccccc1

InChI Key: InChIKey=XKCHMLMSQVRLPS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50013071   

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 receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50013071 (CHEMBL3261688) Show SMILES CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1)c1ccccc1 Show InChI InChI=1S/C28H29N3O2/c1-31(2)19-18-27(22-9-4-3-5-10-22)33-26-16-14-24(15-17-26)29-28(32)30-25-13-12-21-8-6-7-11-23(21)20-25/h3-17,20,27H,18-19H2,1-2H3,(H2,29,30,32)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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 5-HT2C receptor in Sprague-Dawley rat choroid plexus membranes after 30 mins by liquid scintillation spectrophot...				Bioorg Med Chem Lett 24: 2118-22 (2014) Article DOI: 10.1016/j.bmcl.2014.03.043 BindingDB Entry DOI: 10.7270/Q2G44RV5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50013071 (CHEMBL3261688) Show SMILES CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1)c1ccccc1 Show InChI InChI=1S/C28H29N3O2/c1-31(2)19-18-27(22-9-4-3-5-10-22)33-26-16-14-24(15-17-26)29-28(32)30-25-13-12-21-8-6-7-11-23(21)20-25/h3-17,20,27H,18-19H2,1-2H3,(H2,29,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	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 spectrophotometric analysis				Bioorg Med Chem Lett 24: 2118-22 (2014) Article DOI: 10.1016/j.bmcl.2014.03.043 BindingDB Entry DOI: 10.7270/Q2G44RV5
					More data for this Ligand-Target Pair