BDBM32877 (5E)-1-(2-chlorobenzyl)-5-[(1-methylpyrrol-2-yl)methylene]barbituric acid::(5E)-1-[(2-chlorophenyl)methyl]-5-[(1-methyl-2-pyrrolyl)methylidene]-1,3-diazinane-2,4,6-trione::(5E)-1-[(2-chlorophenyl)methyl]-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione::1-(2-chlorobenzyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione::MLS000675880::SMR000292051::cid_2186482
SMILES: Cn1cccc1\C=C1/C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O
InChI Key: InChIKey=OCLFLRLSJRUZLN-UKTHLTGXSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
G-protein coupled receptor 55 (Homo sapiens (Human)) | BDBM32877 ((5E)-1-(2-chlorobenzyl)-5-[(1-methylpyrrol-2-yl)me...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 978 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2348HSG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM32877 ((5E)-1-(2-chlorobenzyl)-5-[(1-methylpyrrol-2-yl)me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 23 |
PCMD Curated by PubChem BioAssay | Assay Description Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2H993J6 | |||||||||||
More data for this Ligand-Target Pair |