Reaction Details Report a problem with these data
Target
G-protein coupled receptor 55
Ligand
BDBM61514
Substrate
n/a
Meas. Tech.
Image-Based HTS for Selective Antagonists for GPR55
IC50
500±n/a nM
Citation
 PubChem, PC Image-Based HTS for Selective Antagonists for GPR55 PubChem Bioassay (2010)[AID] 
Target
Name:
G-protein coupled receptor 55
Synonyms:
G protein-coupled receptor 55 | GPR55 | GPR55_HUMAN
Type:
PROTEIN
Mol. Mass.:
36649.72
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1292265
Residue:
319
Sequence:
MSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG
  
Inhibitor
Name:
BDBM61514
Synonyms:
2-[3-(2,6-dimethylphenyl)-4-keto-5-(4-pyridylmethylene)thiazolidin-2-ylidene]-3-keto-3-(2-methyl-1H-indol-3-yl)propionitrile | 2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxidanylidene-propanenitrile | 2-[3-(2,6-dimethylphenyl)-4-oxo-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile | 2-[3-(2,6-dimethylphenyl)-4-oxo-5-(pyridin-4-ylmethylidene)-2-thiazolidinylidene]-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile | MLS000394927 | SMR000262158 | cid_3688342
Type:
Small organic molecule
Emp. Form.:
C29H22N4O2S
Mol. Mass.:
490.576
SMILES:
Cc1[nH]c2ccccc2c1C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1c(C)cccc1C |w:12.13,18.20,(9.64,-4.2,;8.1,-4.2,;7.2,-5.44,;5.75,-4.97,;4.41,-5.74,;3.08,-4.97,;3.08,-3.43,;4.41,-2.66,;5.75,-3.43,;7.2,-2.96,;7.68,-1.5,;6.65,-.35,;9.19,-1.18,;10.22,-2.33,;11.25,-3.47,;9.67,.28,;8.77,1.53,;9.67,2.77,;9.2,4.24,;7.69,4.56,;6.66,3.42,;5.16,3.74,;4.68,5.21,;5.71,6.35,;7.22,6.03,;11.14,2.29,;12.38,3.2,;11.13,.75,;12.61,.33,;12.98,-1.17,;11.87,-2.23,;14.46,-1.59,;15.57,-.53,;15.2,.97,;13.72,1.4,;13.35,2.89,)|
Structure:
Search PDB for entries with ligand similarity: