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BDBM298148 US10118915, Compound 408

SMILES: COC1CN(CCC1NCC(C)C)c1nnc(C)cc1C(=O)OC(C)C

InChI Key: InChIKey=UCDBZMKZHVQAME-UHFFFAOYNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 298148   
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))
BDBM298148
PNG
(US10118915, Compound 408)
Show SMILES COC1CN(CCC1NCC(C)C)c1nnc(C)cc1C(=O)OC(C)C
Show InChI InChI=1/C19H32N4O3/c1-12(2)10-20-16-7-8-23(11-17(16)25-6)18-15(9-14(5)21-22-18)19(24)26-13(3)4/h9,12-13,16-17,20H,7-8,10-11H2,1-6H3
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 57n/an/an/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
Well-known assay for kappa opioid receptor


US Patent US10118915 (2018)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q23J3G00
More data for this
Ligand-Target Pair