BDBM114628 4-bromanyl-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol::4-bromo-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol::4-bromo-2-methoxy-6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenol::4-bromo-2-methoxy-6-[[4-(2-pyrimidyl)piperazino]methyl]phenol::SR-01000208636::SR-01000208636-3::cid_1376210

SMILES: COc1cc(Br)cc(CN2CCN(CC2)c2ncccn2)c1O

InChI Key: InChIKey=BOYYZPFWQQQUAH-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 = 114628   

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 (Mus musculus (Mouse))	BDBM114628 (4-bromanyl-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin...) Show SMILES COc1cc(Br)cc(CN2CCN(CC2)c2ncccn2)c1O Show InChI InChI=1S/C16H19BrN4O2/c1-23-14-10-13(17)9-12(15(14)22)11-20-5-7-21(8-6-20)16-18-3-2-4-19-16/h2-4,9-10,22H,5-8,11H2,1H3	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))	BDBM114628 (4-bromanyl-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin...) Show SMILES COc1cc(Br)cc(CN2CCN(CC2)c2ncccn2)c1O Show InChI InChI=1S/C16H19BrN4O2/c1-23-14-10-13(17)9-12(15(14)22)11-20-5-7-21(8-6-20)16-18-3-2-4-19-16/h2-4,9-10,22H,5-8,11H2,1H3	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