BDBM50223766 CHEMBL155426

SMILES: COc1ccc2C(=O)CC(CN3CCN(CC3)c3ccccc3OC)Cc2c1

InChI Key: InChIKey=MQXFERLTNJGIPG-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 = 50223766   

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 (Homo sapiens (Human))	BDBM50223766 (CHEMBL155426) Show SMILES COc1ccc2C(=O)CC(CN3CCN(CC3)c3ccccc3OC)Cc2c1 Show InChI InChI=1S/C23H28N2O3/c1-27-19-7-8-20-18(15-19)13-17(14-22(20)26)16-24-9-11-25(12-10-24)21-5-3-4-6-23(21)28-2/h3-8,15,17H,9-14,16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor				Bioorg Med Chem Lett 14: 585-9 (2004) BindingDB Entry DOI: 10.7270/Q2VT1V9D
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50223766 (CHEMBL155426) Show SMILES COc1ccc2C(=O)CC(CN3CCN(CC3)c3ccccc3OC)Cc2c1 Show InChI InChI=1S/C23H28N2O3/c1-27-19-7-8-20-18(15-19)13-17(14-22(20)26)16-24-9-11-25(12-10-24)21-5-3-4-6-23(21)28-2/h3-8,15,17H,9-14,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D2				Bioorg Med Chem Lett 14: 585-9 (2004) BindingDB Entry DOI: 10.7270/Q2VT1V9D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50223766 (CHEMBL155426) Show SMILES COc1ccc2C(=O)CC(CN3CCN(CC3)c3ccccc3OC)Cc2c1 Show InChI InChI=1S/C23H28N2O3/c1-27-19-7-8-20-18(15-19)13-17(14-22(20)26)16-24-9-11-25(12-10-24)21-5-3-4-6-23(21)28-2/h3-8,15,17H,9-14,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	891	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 14: 585-9 (2004) BindingDB Entry DOI: 10.7270/Q2VT1V9D
					More data for this Ligand-Target Pair