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BDBM50106344 CHEMBL3596365

SMILES: Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O

InChI Key: InChIKey=OJCRNYZGLJWTTC-KYHCHSCSNA-N

Data: 3 KI  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50106344   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106344
PNG
(CHEMBL3596365)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:29:6:17:10.15.14,4:5:17:10.15.14|
Show InChI InChI=1/C24H23FN2O3.ClH/c25-8-10-27-9-7-23-19-13-5-6-17(28)21(19)30-22(23)20-15(12-24(23,29)18(27)11-13)14-3-1-2-4-16(14)26-20;/h1-6,18,22,26,28-29H,7-12H2;1H/t18-,22+,23+,24-;/s2
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1.90n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)


BindingDB Entry DOI: 10.7270/Q28C9Z0W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50106344
PNG
(CHEMBL3596365)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:29:6:17:10.15.14,4:5:17:10.15.14|
Show InChI InChI=1/C24H23FN2O3.ClH/c25-8-10-27-9-7-23-19-13-5-6-17(28)21(19)30-22(23)20-15(12-24(23,29)18(27)11-13)14-3-1-2-4-16(14)26-20;/h1-6,18,22,26,28-29H,7-12H2;1H/t18-,22+,23+,24-;/s2
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397n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)


BindingDB Entry DOI: 10.7270/Q28C9Z0W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50106344
PNG
(CHEMBL3596365)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:29:6:17:10.15.14,4:5:17:10.15.14|
Show InChI InChI=1/C24H23FN2O3.ClH/c25-8-10-27-9-7-23-19-13-5-6-17(28)21(19)30-22(23)20-15(12-24(23,29)18(27)11-13)14-3-1-2-4-16(14)26-20;/h1-6,18,22,26,28-29H,7-12H2;1H/t18-,22+,23+,24-;/s2
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675n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)


BindingDB Entry DOI: 10.7270/Q28C9Z0W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106344
PNG
(CHEMBL3596365)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:29:6:17:10.15.14,4:5:17:10.15.14|
Show InChI InChI=1/C24H23FN2O3.ClH/c25-8-10-27-9-7-23-19-13-5-6-17(28)21(19)30-22(23)20-15(12-24(23,29)18(27)11-13)14-3-1-2-4-16(14)26-20;/h1-6,18,22,26,28-29H,7-12H2;1H/t18-,22+,23+,24-;/s2
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n/an/an/an/a 220n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inverse agonist activity at human DOR expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 25: 2927-30 (2015)


BindingDB Entry DOI: 10.7270/Q28C9Z0W
More data for this
Ligand-Target Pair