Reaction Details Report a problem with these data
Target
Kappa-type opioid receptor
Ligand
BDBM54800
Substrate
n/a
Meas. Tech.
HTS Image-Based Screen for Selective Antagonists of the KOR Receptor
IC50
17981±1360 nM
Citation
 PubChem, PC HTS Image-Based Screen for Selective Antagonists of the KOR Receptor PubChem Bioassay (2009)[AID] 
Target
Name:
Kappa-type opioid receptor
Synonyms:
K-OR-1 | KOR-1 | Kappa-opioid receptor (KOR) | Kappa-type opioid receptor (KOPR) | Kappa-type opioid receptor (KOR) | Kappa-type opioid receptor (Kappa) | OPIATE Kappa | OPRK | OPRK1 | OPRK_HUMAN | kappa opioid receptor (KOR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42648.76
Organism:
Homo sapiens (Human)
Description:
P41145
Residue:
380
Sequence:
MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
  
Inhibitor
Name:
BDBM54800
Synonyms:
2-[1-[(E)-1-(2-furanyl)-3-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-pyridinylidene]propanedinitrile | 2-[1-[(E)-1-(furan-2-yl)-3-(4-methoxyphenyl)-3-oxidanylidene-prop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile | 2-[1-[(E)-1-(furan-2-yl)-3-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile | 2-[1-[(E)-2-(2-furyl)-1-p-anisoyl-vinyl]-2-pyridylidene]malononitrile | 2-{1-[2-Furan-2-yl-1-(4-methoxy-benzoyl)-vinyl]-1H-pyridin-2-ylidene}-malononitrile | MLS000555673 | SMR000176548 | cid_5761997
Type:
Small organic molecule
Emp. Form.:
C22H15N3O3
Mol. Mass.:
369.3728
SMILES:
COc1ccc(cc1)C(=O)C(=C/c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:20,22,(15.5,1.39,;14.16,2.16,;12.83,1.39,;11.49,2.16,;10.16,1.39,;10.16,-.15,;11.49,-.92,;12.83,-.15,;8.83,-.92,;8.83,-2.46,;7.49,-.15,;6.16,-.92,;6.16,-2.46,;4.91,-3.36,;5.39,-4.83,;6.93,-4.83,;7.41,-3.36,;7.49,1.39,;8.83,2.16,;8.83,3.7,;7.49,4.47,;6.16,3.7,;6.16,2.16,;4.62,2.16,;3.85,3.5,;3.08,4.83,;3.85,.83,;3.08,-.51,)|
Structure:
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