BDBM38726 2-[4-(3-fluorobenzyl)piperazino]pyrimidine::2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]pyrimidine::2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidine::MLS000105283::SMR000102164::cid_763417
SMILES: Fc1cccc(CN2CCN(CC2)c2ncccn2)c1
InChI Key: InChIKey=DDFZWZOMOJAGID-UHFFFAOYSA-N
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) | BDBM38726 (2-[4-(3-fluorobenzyl)piperazino]pyrimidine | 2-[4-...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.50E+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/Q2CF9NG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
mevalonate kinase (Streptococcus pneumoniae D39) | BDBM38726 (2-[4-(3-fluorobenzyl)piperazino]pyrimidine | 2-[4-...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | 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)) | BDBM38726 (2-[4-(3-fluorobenzyl)piperazino]pyrimidine | 2-[4-...) | 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)) | BDBM38726 (2-[4-(3-fluorobenzyl)piperazino]pyrimidine | 2-[4-...) | 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 | |||||||||||||
mevalonate kinase (Streptococcus pneumoniae D39) | BDBM38726 (2-[4-(3-fluorobenzyl)piperazino]pyrimidine | 2-[4-...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | 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/Q23X852V | |||||||||||
More data for this Ligand-Target Pair |