BindingDB logo
myBDB logout

BDBM373531 US9902726, Compound 12

SMILES: CN1CC[C@]23Cc4[nH]c(=O)c(cc4C[C@H]2[C@H]1Cc1ccc(O)cc31)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=UZELRFVYIORXKJ-POGFHVCPSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 373531   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM373531
PNG
(US9902726, Compound 12)
Show SMILES CN1CC[C@]23Cc4[nH]c(=O)c(cc4C[C@H]2[C@H]1Cc1ccc(O)cc31)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H26N2O4S/c1-28-10-9-26-15-22-17(11-21(26)23(28)12-16-7-8-18(29)14-20(16)26)13-24(25(30)27-22)33(31,32)19-5-3-2-4-6-19/h2-8,13-14,21,23,29H,9-12,15H2,1H3,(H,27,30)/t21-,23+,26+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.78E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
κ-Opioid: Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane ...


US Patent US9902726 (2018)


BindingDB Entry DOI: 10.7270/Q25B04T1
More data for this
Ligand-Target Pair