BDBM114606 2-[4-(3-methylbenzyl)piperazino]pyrimidine::2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]pyrimidine::2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine::SR-01000201419::SR-01000201419-3::cid_750803

SMILES: Cc1cccc(CN2CCN(CC2)c2ncccn2)c1

InChI Key: InChIKey=ZPHRBLOZWQWYTK-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 = 114606   

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))	BDBM114606 (2-[4-(3-methylbenzyl)piperazino]pyrimidine | 2-[4-...) Show SMILES Cc1cccc(CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C16H20N4/c1-14-4-2-5-15(12-14)13-19-8-10-20(11-9-19)16-17-6-3-7-18-16/h2-7,12H,8-11,13H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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))	BDBM114606 (2-[4-(3-methylbenzyl)piperazino]pyrimidine | 2-[4-...) Show SMILES Cc1cccc(CN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C16H20N4/c1-14-4-2-5-15(12-14)13-19-8-10-20(11-9-19)16-17-6-3-7-18-16/h2-7,12H,8-11,13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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