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Patent code US9963460

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))
BDBM393487
PNG
(US9963460, 13)
Show SMILES CN(Cc1ccccc1)C(=O)C1=C[C@]23CC[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O
Show InChI InChI=1S/C31H34N2O4/c1-32(17-19-5-3-2-4-6-19)27(35)22-16-29-11-12-31(22,36)28-30(29)13-14-33(18-20-7-8-20)24(29)15-21-9-10-23(34)26(37-28)25(21)30/h2-6,9-10,16,20,24,28,34,36H,7-8,11-15,17-18H2,1H3/t24-,28-,29-,30+,31-/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00280n/an/an/an/a



University of Tsukuba; Nippon Chemiphar Co., Ltd.

US Patent


Assay Description
In a [3SS] GTPγS binding test, the opioid receptor agonist activity of test compounds based on a GTP-GDP exchange reaction was evaluated. In the...


US Patent US9963460 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM393487
PNG
(US9963460, 13)
Show SMILES CN(Cc1ccccc1)C(=O)C1=C[C@]23CC[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O
Show InChI InChI=1S/C31H34N2O4/c1-32(17-19-5-3-2-4-6-19)27(35)22-16-29-11-12-31(22,36)28-30(29)13-14-33(18-20-7-8-20)24(29)15-21-9-10-23(34)26(37-28)25(21)30/h2-6,9-10,16,20,24,28,34,36H,7-8,11-15,17-18H2,1H3/t24-,28-,29-,30+,31-/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.70n/an/an/an/a



University of Tsukuba; Nippon Chemiphar Co., Ltd.

US Patent


Assay Description
In a [3SS] GTPγS binding test, the opioid receptor agonist activity of test compounds based on a GTP-GDP exchange reaction was evaluated. In the...


US Patent US9963460 (2018)

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


(Homo sapiens (Human))
BDBM393487
PNG
(US9963460, 13)
Show SMILES CN(Cc1ccccc1)C(=O)C1=C[C@]23CC[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O
Show InChI InChI=1S/C31H34N2O4/c1-32(17-19-5-3-2-4-6-19)27(35)22-16-29-11-12-31(22,36)28-30(29)13-14-33(18-20-7-8-20)24(29)15-21-9-10-23(34)26(37-28)25(21)30/h2-6,9-10,16,20,24,28,34,36H,7-8,11-15,17-18H2,1H3/t24-,28-,29-,30+,31-/m1/s1
PDB

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.77n/an/an/an/a



University of Tsukuba; Nippon Chemiphar Co., Ltd.

US Patent


Assay Description
In a [3SS] GTPγS binding test, the opioid receptor agonist activity of test compounds based on a GTP-GDP exchange reaction was evaluated. In the...


US Patent US9963460 (2018)

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