BDBM67274 6'-chloranyl-4'-(2-fluorophenyl)-4,4-dimethyl-7'-oxidanyl-spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-thione::6'-chloro-4'-(2-fluorophenyl)-7'-hydroxy-4,4-dimethyl-2-spiro[1,3-diazinane-6,2'-3,4-dihydro-2H-1-benzopyran]thione::6'-chloro-4'-(2-fluorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-thione::6-chloro-4-(2-fluorophenyl)-7-hydroxy-4',4'-dimethyl-spiro[chroman-2,6'-hexahydropyrimidine]-2'-thione::6-chloro-4-(2-fluorophenyl)-7-hydroxy-6',6'-dimethyl-3,4,5',6'-tetrahydro-1'H-spiro[chromene-2,4'-pyrimidine]-2'(3'H)-thione::MLS000674996::SMR000313599::cid_3594343
SMILES: CC1(C)CC2(CC(c3ccccc3F)c3cc(Cl)c(O)cc3O2)NC(=S)N1
InChI Key: InChIKey=LDMMFURXYJLEFT-UHFFFAOYSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Apelin receptor (Homo sapiens (Human)) | BDBM67274 (6'-chloranyl-4'-(2-fluorophenyl)-4,4-dimethyl-7'-o...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ | |||||||||||
More data for this Ligand-Target Pair |