BDBM50013069 CHEMBL3261686

SMILES: CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3n(C)ccc3c2)cc1)c1ccccc1

InChI Key: InChIKey=ZBOLBANDASCDQQ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50013069   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50013069 (CHEMBL3261686) Show SMILES CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3n(C)ccc3c2)cc1)c1ccccc1 Show InChI InChI=1S/C27H30N4O2/c1-30(2)17-16-26(20-7-5-4-6-8-20)33-24-12-9-22(10-13-24)28-27(32)29-23-11-14-25-21(19-23)15-18-31(25)3/h4-15,18-19,26H,16-17H2,1-3H3,(H2,28,29,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9	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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50013069 (CHEMBL3261686) Show SMILES CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3n(C)ccc3c2)cc1)c1ccccc1 Show InChI InChI=1S/C27H30N4O2/c1-30(2)17-16-26(20-7-5-4-6-8-20)33-24-12-9-22(10-13-24)28-27(32)29-23-11-14-25-21(19-23)15-18-31(25)3/h4-15,18-19,26H,16-17H2,1-3H3,(H2,28,29,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	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
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50013069 (CHEMBL3261686) Show SMILES CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3n(C)ccc3c2)cc1)c1ccccc1 Show InChI InChI=1S/C27H30N4O2/c1-30(2)17-16-26(20-7-5-4-6-8-20)33-24-12-9-22(10-13-24)28-27(32)29-23-11-14-25-21(19-23)15-18-31(25)3/h4-15,18-19,26H,16-17H2,1-3H3,(H2,28,29,32)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	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
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50013069 (CHEMBL3261686) Show SMILES CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3n(C)ccc3c2)cc1)c1ccccc1 Show InChI InChI=1S/C27H30N4O2/c1-30(2)17-16-26(20-7-5-4-6-8-20)33-24-12-9-22(10-13-24)28-27(32)29-23-11-14-25-21(19-23)15-18-31(25)3/h4-15,18-19,26H,16-17H2,1-3H3,(H2,28,29,32)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	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))	BDBM50013069 (CHEMBL3261686) Show SMILES CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc3n(C)ccc3c2)cc1)c1ccccc1 Show InChI InChI=1S/C27H30N4O2/c1-30(2)17-16-26(20-7-5-4-6-8-20)33-24-12-9-22(10-13-24)28-27(32)29-23-11-14-25-21(19-23)15-18-31(25)3/h4-15,18-19,26H,16-17H2,1-3H3,(H2,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	239	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