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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM102396'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM102396
PNG
(US8536192, I-13)
Show SMILES CN(Cc1ccccc1)C(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:12:13:17.35.16:30.29.28,THB:14:13:17.35.16:30.29.28|
Show InChI InChI=1S/C29H32N2O5/c1-30(15-17-5-3-2-4-6-17)27(34)20-14-29(35)22-13-19-9-10-21(32)25-23(19)28(29,26(36-25)24(20)33)11-12-31(22)16-18-7-8-18/h2-6,9-10,18,20,22,26,32,35H,7-8,11-16H2,1H3/t20?,22-,26+,28+,29-/m1/s1
PDB

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PC cid
PC sid
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Similars

US Patent
5.02 -47.4n/an/an/an/an/an/a25



Shionogi & Co. Ltd.

US Patent


Assay Description
Binding assay of opioid receptor.


US Patent US8536192 (2013)


BindingDB Entry DOI: 10.7270/Q24M935Z
More data for this
Ligand-Target Pair