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PubMed code 23775075

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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 Opioid Receptor


(Homo sapiens (human))
BDBM209923
PNG
(5'-Guanidinonaltrindole (5'-GNTI))
Show SMILES NC(N)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(C[C@@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 0.0700n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
For antagonist experiments, protein was preincubated with test compounds for 15 min prior to the addition of 100 nM U69,593 and [35S]GTPγS. Reac...


J Biol Chem 288: 22387-98 (2013)

More data for this
Ligand-Target Pair
Kappa Opioid Receptor


(Homo sapiens (human))
BDBM209922
PNG
(6'-Guanidinonaltrindole (6'-GNTI))
Show SMILES NC(N)=Nc1ccc2c3C[C@@]4(O)[C@@H]5Cc6ccc(O)c7O[C@@H](c3[nH]c2c1)[C@]4(CCN5CC1CC1)c67
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 0.440n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
For antagonist experiments, protein was preincubated with test compounds for 15 min prior to the addition of 100 nM U69,593 and [35S]GTPγS. Reac...


J Biol Chem 288: 22387-98 (2013)

More data for this
Ligand-Target Pair
Kappa Opioid Receptor


(Homo sapiens (human))
BDBM209921
PNG
(Norbinaltorphimine (nor-BNI))
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 0.460n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
For antagonist experiments, protein was preincubated with test compounds for 15 min prior to the addition of 100 nM U69,593 and [35S]GTPγS. Reac...


J Biol Chem 288: 22387-98 (2013)

More data for this
Ligand-Target Pair
Kappa Opioid Receptor


(Homo sapiens (human))
BDBM209923
PNG
(5'-Guanidinonaltrindole (5'-GNTI))
Show SMILES NC(N)=Nc1ccc2[nH]c3[C@@H]4Oc5c6c(C[C@@H]7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 0.800n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
β-Arrestin2 translocation was also studied using the PathHunter® β-arrestin assay in CHO-K1 cells expressing the KOR (DiscoveRx, Fremont, C...


J Biol Chem 288: 22387-98 (2013)

More data for this
Ligand-Target Pair
Kappa Opioid Receptor


(Homo sapiens (human))
BDBM209921
PNG
(Norbinaltorphimine (nor-BNI))
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
PDB

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PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 2.10n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
β-Arrestin2 translocation was also studied using the PathHunter® β-arrestin assay in CHO-K1 cells expressing the KOR (DiscoveRx, Fremont, C...


J Biol Chem 288: 22387-98 (2013)

More data for this
Ligand-Target Pair
Kappa Opioid Receptor


(Homo sapiens (human))
BDBM209922
PNG
(6'-Guanidinonaltrindole (6'-GNTI))
Show SMILES NC(N)=Nc1ccc2c3C[C@@]4(O)[C@@H]5Cc6ccc(O)c7O[C@@H](c3[nH]c2c1)[C@]4(CCN5CC1CC1)c67
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 10.1n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
β-Arrestin2 translocation was also studied using the PathHunter® β-arrestin assay in CHO-K1 cells expressing the KOR (DiscoveRx, Fremont, C...


J Biol Chem 288: 22387-98 (2013)

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