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BDBM156174 US9682966, 184

SMILES: CCC1(CO)CN(CCC1NC1CCCCC1)C(\N)=C(\C=C(\C)N)/c1nc(C)no1

InChI Key: InChIKey=LZWSMHNQMCQRQF-WOWDFQAJNA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 156174   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM156174
PNG
(US9682966, 184)
Show SMILES CCC1(CO)CN(CCC1NC1CCCCC1)C(\N)=C(\C=C(\C)N)/c1nc(C)no1
Show InChI InChI=1/C22H38N6O2/c1-4-22(14-29)13-28(11-10-19(22)26-17-8-6-5-7-9-17)20(24)18(12-15(2)23)21-25-16(3)27-30-21/h12,17,19,26,29H,4-11,13-14,23-24H2,1-3H3/b15-12-,20-18-
PDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 19n/an/an/an/an/a25



The Scripps Research Institute

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements. The carboxy terminus of the OPRK1 receptor has a 7 amino acid l...


US Patent US9682966 (2017)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair