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BDBM373530 US9902726, Compound 11

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

InChI Key: InChIKey=VTAUHEGKMOJKSP-YRISNDGFSA-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 = 373530   
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))
BDBM373530
PNG
(US9902726, Compound 11)
Show SMILES CN1CC[C@]23Cc4[nH]c(=O)c(cc4C[C@H]2[C@H]1Cc1ccc(O)cc31)S(C)(=O)=O
Show InChI InChI=1S/C21H24N2O4S/c1-23-6-5-21-11-17-13(9-19(20(25)22-17)28(2,26)27)7-16(21)18(23)8-12-3-4-14(24)10-15(12)21/h3-4,9-10,16,18,24H,5-8,11H2,1-2H3,(H,22,25)/t16-,18+,21+/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
1.31E+4n/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