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PubMed code 19640720

Compile data set for download or QSAR
Found 4 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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.01n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain


Bioorg Med Chem 17: 5782-90 (2009)


Article DOI: 10.1016/j.bmc.2009.07.024
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50304074
PNG
(2-(2-methylquinolin-4-ylamino)-N-phenylacetamide |...)
Show SMILES Cc1cc(NCC(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C18H17N3O/c1-13-11-17(15-9-5-6-10-16(15)20-13)19-12-18(22)21-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,20)(H,21,22)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.03n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]dynorphin from human kappa opioid receptor expressed in C6 giloma cells


Bioorg Med Chem 17: 5782-90 (2009)


Article DOI: 10.1016/j.bmc.2009.07.024
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50304074
PNG
(2-(2-methylquinolin-4-ylamino)-N-phenylacetamide |...)
Show SMILES Cc1cc(NCC(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C18H17N3O/c1-13-11-17(15-9-5-6-10-16(15)20-13)19-12-18(22)21-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,20)(H,21,22)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.15n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain


Bioorg Med Chem 17: 5782-90 (2009)


Article DOI: 10.1016/j.bmc.2009.07.024
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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Article
PubMed
n/an/a 1.99n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Displacement of [3H]dynorphin from human kappa opioid receptor expressed in C6 giloma cells


Bioorg Med Chem 17: 5782-90 (2009)


Article DOI: 10.1016/j.bmc.2009.07.024
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%