BDBM50013102 CHEMBL3261690

SMILES: CCn1ccc2cc(NC(=O)Nc3ccc(OC(CCN(C)C)c4ccccc4)cc3)ccc12

InChI Key: InChIKey=UUEYPWRMXQMGBA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50013102   

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
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50013102 (CHEMBL3261690) Show SMILES CCn1ccc2cc(NC(=O)Nc3ccc(OC(CCN(C)C)c4ccccc4)cc3)ccc12 Show InChI InChI=1S/C28H32N4O2/c1-4-32-19-16-22-20-24(12-15-26(22)32)30-28(33)29-23-10-13-25(14-11-23)34-27(17-18-31(2)3)21-8-6-5-7-9-21/h5-16,19-20,27H,4,17-18H2,1-3H3,(H2,29,30,33)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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 2C (Rattus norvegicus (Rat))	BDBM50013102 (CHEMBL3261690) Show SMILES CCn1ccc2cc(NC(=O)Nc3ccc(OC(CCN(C)C)c4ccccc4)cc3)ccc12 Show InChI InChI=1S/C28H32N4O2/c1-4-32-19-16-22-20-24(12-15-26(22)32)30-28(33)29-23-10-13-25(14-11-23)34-27(17-18-31(2)3)21-8-6-5-7-9-21/h5-16,19-20,27H,4,17-18H2,1-3H3,(H2,29,30,33)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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))	BDBM50013102 (CHEMBL3261690) Show SMILES CCn1ccc2cc(NC(=O)Nc3ccc(OC(CCN(C)C)c4ccccc4)cc3)ccc12 Show InChI InChI=1S/C28H32N4O2/c1-4-32-19-16-22-20-24(12-15-26(22)32)30-28(33)29-23-10-13-25(14-11-23)34-27(17-18-31(2)3)21-8-6-5-7-9-21/h5-16,19-20,27H,4,17-18H2,1-3H3,(H2,29,30,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	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))	BDBM50013102 (CHEMBL3261690) Show SMILES CCn1ccc2cc(NC(=O)Nc3ccc(OC(CCN(C)C)c4ccccc4)cc3)ccc12 Show InChI InChI=1S/C28H32N4O2/c1-4-32-19-16-22-20-24(12-15-26(22)32)30-28(33)29-23-10-13-25(14-11-23)34-27(17-18-31(2)3)21-8-6-5-7-9-21/h5-16,19-20,27H,4,17-18H2,1-3H3,(H2,29,30,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	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