BDBM50026172 2-{4-[2-(3,4-Dimethoxy-phenyl)-2-hydroxy-1-methyl-ethyl]-piperazin-1-yl}-cyclohepta-2,4,6-trienone::2-{4-[2-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-ethyl]-piperazin-1-yl}-cyclohepta-2,4,6-trienone::CHEMBL57437

SMILES: COc1ccc(cc1OC)[C@H](O)[C@@H](C)N1CCN(CC1)c1cccccc1=O

InChI Key: InChIKey=VHWWMFMKKRWURA-OPAMFIHVSA-N

Data: 1 IC50

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 1 hit for monomerid = 50026172   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50026172 (2-{4-[2-(3,4-Dimethoxy-phenyl)-2-hydroxy-1-methyl-...) Show SMILES COc1ccc(cc1OC)[C@H](O)[C@@H](C)N1CCN(CC1)c1cccccc1=O Show InChI InChI=1S/C22H28N2O4/c1-16(22(26)17-9-10-20(27-2)21(15-17)28-3)23-11-13-24(14-12-23)18-7-5-4-6-8-19(18)25/h4-10,15-16,22,26H,11-14H2,1-3H3/t16-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was for its ability to displace [3H]-haloperidol binding to rat striatal Dopamine receptor D2				J Med Chem 29: 186-93 (1986) BindingDB Entry DOI: 10.7270/Q2N29VZH
					More data for this Ligand-Target Pair