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BDBM50106346 CHEMBL3596366

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

InChI Key: InChIKey=TUIFNBATPUWTSR-HJSDRASQNA-N

Data: 3 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50106346   
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))
BDBM50106346
PNG
(CHEMBL3596366)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:30:6:18:10.16.15,4:5:18:10.16.15|
Show InChI InChI=1/C24H22F2N2O3.ClH/c25-18(26)11-28-8-7-23-19-12-5-6-16(29)21(19)31-22(23)20-14(10-24(23,30)17(28)9-12)13-3-1-2-4-15(13)27-20;/h1-6,17-18,22,27,29-30H,7-11H2;1H/t17-,22+,23+,24-;/s2
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16n/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50106346
PNG
(CHEMBL3596366)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:30:6:18:10.16.15,4:5:18:10.16.15|
Show InChI InChI=1/C24H22F2N2O3.ClH/c25-18(26)11-28-8-7-23-19-12-5-6-16(29)21(19)31-22(23)20-14(10-24(23,30)17(28)9-12)13-3-1-2-4-15(13)27-20;/h1-6,17-18,22,27,29-30H,7-11H2;1H/t17-,22+,23+,24-;/s2
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>1.00E+3n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50106346
PNG
(CHEMBL3596366)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:30:6:18:10.16.15,4:5:18:10.16.15|
Show InChI InChI=1/C24H22F2N2O3.ClH/c25-18(26)11-28-8-7-23-19-12-5-6-16(29)21(19)31-22(23)20-14(10-24(23,30)17(28)9-12)13-3-1-2-4-15(13)27-20;/h1-6,17-18,22,27,29-30H,7-11H2;1H/t17-,22+,23+,24-;/s2
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>1.00E+3n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106346
PNG
(CHEMBL3596366)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:30:6:18:10.16.15,4:5:18:10.16.15|
Show InChI InChI=1/C24H22F2N2O3.ClH/c25-18(26)11-28-8-7-23-19-12-5-6-16(29)21(19)31-22(23)20-14(10-24(23,30)17(28)9-12)13-3-1-2-4-15(13)27-20;/h1-6,17-18,22,27,29-30H,7-11H2;1H/t17-,22+,23+,24-;/s2
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n/an/an/an/a 17n/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