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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM199420'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM199420
PNG
(US9221831, 86)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@H](C)N)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:25.24:4.3|
Show InChI InChI=1S/C27H36N2O5/c1-15(28)23(31)33-14-18-12-25-7-8-27(18,32-2)24-26(25)9-10-29(13-16-3-4-16)20(25)11-17-5-6-19(30)22(34-24)21(17)26/h5-6,15-16,18,20,24,30H,3-4,7-14,28H2,1-2H3/t15-,18+,20+,24+,25+,26-,27+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
0.140n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


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


US Patent US9221831 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G8M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM199420
PNG
(US9221831, 86)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@H](C)N)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:25.24:4.3|
Show InChI InChI=1S/C27H36N2O5/c1-15(28)23(31)33-14-18-12-25-7-8-27(18,32-2)24-26(25)9-10-29(13-16-3-4-16)20(25)11-17-5-6-19(30)22(34-24)21(17)26/h5-6,15-16,18,20,24,30H,3-4,7-14,28H2,1-2H3/t15-,18+,20+,24+,25+,26-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.59n/an/a7.425



Purdue Pharma, L.P.

US Patent


Assay Description
Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...


US Patent US9221831 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G8M
More data for this
Ligand-Target Pair