BDBM38696 2-[4-(2,4-dimethoxybenzyl)piperazino]pyrimidine::2-[4-[(2,4-dimethoxyphenyl)methyl]-1-piperazinyl]pyrimidine::2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine::MLS000105277::SMR000102158::cid_199200

SMILES: COc1ccc(CN2CCN(CC2)c2ncccn2)c(OC)c1

InChI Key: InChIKey=CDJMANXRRPUKJG-UHFFFAOYSA-N

Data: 3 IC50  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 5 hits for monomerid = 38696   

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
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38696 (2-[4-(2,4-dimethoxybenzyl)piperazino]pyrimidine | ...) Show SMILES COc1ccc(CN2CCN(CC2)c2ncccn2)c(OC)c1 Show InChI InChI=1S/C17H22N4O2/c1-22-15-5-4-14(16(12-15)23-2)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11,13H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38696 (2-[4-(2,4-dimethoxybenzyl)piperazino]pyrimidine | ...) Show SMILES COc1ccc(CN2CCN(CC2)c2ncccn2)c(OC)c1 Show InChI InChI=1S/C17H22N4O2/c1-22-15-5-4-14(16(12-15)23-2)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11,13H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q27P8WSS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A) (Mus musculus (Mouse))	BDBM38696 (2-[4-(2,4-dimethoxybenzyl)piperazino]pyrimidine | ...) Show SMILES COc1ccc(CN2CCN(CC2)c2ncccn2)c(OC)c1 Show InChI InChI=1S/C17H22N4O2/c1-22-15-5-4-14(16(12-15)23-2)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11,13H2,1-2H3	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))	BDBM38696 (2-[4-(2,4-dimethoxybenzyl)piperazino]pyrimidine | ...) Show SMILES COc1ccc(CN2CCN(CC2)c2ncccn2)c(OC)c1 Show InChI InChI=1S/C17H22N4O2/c1-22-15-5-4-14(16(12-15)23-2)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11,13H2,1-2H3	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
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38696 (2-[4-(2,4-dimethoxybenzyl)piperazino]pyrimidine | ...) Show SMILES COc1ccc(CN2CCN(CC2)c2ncccn2)c(OC)c1 Show InChI InChI=1S/C17H22N4O2/c1-22-15-5-4-14(16(12-15)23-2)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11,13H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q23X852V
					More data for this Ligand-Target Pair