BDBM114625 2-[4-(4-methoxy-2,3-dimethyl-benzyl)piperazino]pyrimidine::2-[4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-1-yl]pyrimidine::2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-piperazinyl]pyrimidine::2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine::SR-01000201524::SR-01000201524-3::cid_791369

SMILES: COc1ccc(CN2CCN(CC2)c2ncccn2)c(C)c1C

InChI Key: InChIKey=IFZHSFXLDNNMOM-UHFFFAOYSA-N

Data: 2 EC50

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 = 114625   

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 2A (5HT2A) (Mus musculus (Mouse))	BDBM114625 (2-[4-(4-methoxy-2,3-dimethyl-benzyl)piperazino]pyr...) Show SMILES COc1ccc(CN2CCN(CC2)c2ncccn2)c(C)c1C Show InChI InChI=1S/C18H24N4O/c1-14-15(2)17(23-3)6-5-16(14)13-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h4-8H,9-13H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	7.61E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q24B2ZZ6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM114625 (2-[4-(4-methoxy-2,3-dimethyl-benzyl)piperazino]pyr...) Show SMILES COc1ccc(CN2CCN(CC2)c2ncccn2)c(C)c1C Show InChI InChI=1S/C18H24N4O/c1-14-15(2)17(23-3)6-5-16(14)13-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h4-8H,9-13H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2833QNG
					More data for this Ligand-Target Pair