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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50395112   
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
Mu-type opioid receptor


(MOUSE)
BDBM50395112
PNG
(CHEMBL2163541)
Show SMILES Cc1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
Show InChI InChI=1S/C27H30N2O4/c1-3-12-29-13-11-26-22-17-7-8-20(30)23(22)33-24(26)19(9-10-27(26,32)21(29)15-17)28-25(31)18-6-4-5-16(2)14-18/h3-8,14,19,21,24,30,32H,1,9-13,15H2,2H3,(H,28,31)/t19-,21-,24+,26+,27-/m1/s1
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PubMed
0.290n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned MOR-1 expressed in CHO cell membrane after 90 mins


J Med Chem 55: 6352-62 (2012)


Article DOI: 10.1021/jm300305c
BindingDB Entry DOI: 10.7270/Q2930V8C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50395112
PNG
(CHEMBL2163541)
Show SMILES Cc1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
Show InChI InChI=1S/C27H30N2O4/c1-3-12-29-13-11-26-22-17-7-8-20(30)23(22)33-24(26)19(9-10-27(26,32)21(29)15-17)28-25(31)18-6-4-5-16(2)14-18/h3-8,14,19,21,24,30,32H,1,9-13,15H2,2H3,(H,28,31)/t19-,21-,24+,26+,27-/m1/s1
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1.62n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins


J Med Chem 55: 6352-62 (2012)


Article DOI: 10.1021/jm300305c
BindingDB Entry DOI: 10.7270/Q2930V8C
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50395112
PNG
(CHEMBL2163541)
Show SMILES Cc1cccc(c1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r|
Show InChI InChI=1S/C27H30N2O4/c1-3-12-29-13-11-26-22-17-7-8-20(30)23(22)33-24(26)19(9-10-27(26,32)21(29)15-17)28-25(31)18-6-4-5-16(2)14-18/h3-8,14,19,21,24,30,32H,1,9-13,15H2,2H3,(H,28,31)/t19-,21-,24+,26+,27-/m1/s1
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8.24n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned DOR-1 expressed in CHO cell membrane after 90 mins


J Med Chem 55: 6352-62 (2012)


Article DOI: 10.1021/jm300305c
BindingDB Entry DOI: 10.7270/Q2930V8C
More data for this
Ligand-Target Pair