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BDBM373529 US9902726, Compound 8

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

InChI Key: InChIKey=VSJLKDCPGIHPBR-LGPLSSKUSA-N

Data: 1 KI

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 = 373529   
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))
BDBM373529
PNG
(US9902726, Compound 8)
Show SMILES CN1CC[C@]23Cc4[nH]c(=O)c(cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H26N2O5S/c1-28-10-9-25-15-21-17(11-22(24(30)27-21)34(32,33)19-5-3-2-4-6-19)14-26(25,31)23(28)12-16-7-8-18(29)13-20(16)25/h2-8,11,13,23,29,31H,9-10,12,14-15H2,1H3,(H,27,30)/t23-,25-,26-/m1/s1
PDB

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PC cid
PC sid
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US Patent
1.95E+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