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Patent code US9975854

Compile Data Set for Download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))
BDBM394120
PNG
((2R,6S,11R)-11-(((1-(2-hydroxy- 2-methylpropyl)pip...)
Show SMILES CN(CC1CCN(CC(C)(C)O)CC1)[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C
Show InChI InChI=1S/C25H41N3O2/c1-24(2,30)17-28-11-8-18(9-12-28)16-27(5)23-22-14-19-6-7-20(29)15-21(19)25(23,3)10-13-26(22)4/h6-7,15,18,22-23,29-30H,8-14,16-17H2,1-5H3/t22-,23+,25-/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.12n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
μ-Opioid: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.)...


US Patent US9975854 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM394118
PNG
((2R,6S,11R)-3,6-dimethyl-11- ((4-(methylsulfonyl)-...)
Show SMILES CN1CC[C@@]2(C)[C@@H](NCCc3ccc(cc3)S(C)(=O)=O)[C@H]1Cc1ccc(O)cc21
Show InChI InChI=1S/C23H30N2O3S/c1-23-11-13-25(2)21(14-17-6-7-18(26)15-20(17)23)22(23)24-12-10-16-4-8-19(9-5-16)29(3,27)28/h4-9,15,21-22,24,26H,10-14H2,1-3H3/t21-,22+,23-/m1/s1
PDB

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UniProtKB/SwissProt

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
301n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
μ-Opioid: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.)...


US Patent US9975854 (2018)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM394119
PNG
((2R,6S,11R)-11-(((1- (isopropylsulfonyl)piperidin-...)
Show SMILES CC(C)S(=O)(=O)N1CCC(CN(C)[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(C)CCN3C)CC1
Show InChI InChI=1S/C24H39N3O3S/c1-17(2)31(29,30)27-11-8-18(9-12-27)16-26(5)23-22-14-19-6-7-20(28)15-21(19)24(23,3)10-13-25(22)4/h6-7,15,17-18,22-23,28H,8-14,16H2,1-5H3/t22-,23+,24-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
>2.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
μ-Opioid: Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.)...


US Patent US9975854 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%