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BDBM50360141 CHEMBL1929364

SMILES: CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31

InChI Key: InChIKey=KGFUJNANWKDXND-VNZMSGEBSA-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 = 50360141   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50360141
PNG
(CHEMBL1929364)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:0:1:17:26.20.19|
Show InChI InChI=1S/C24H24N2O/c1-26-10-9-24-14-20-17(11-15-5-2-3-7-19(15)25-20)12-18(24)21(26)13-16-6-4-8-22(27)23(16)24/h2-8,11,18,21,27H,9-10,12-14H2,1H3/t18-,21+,24-/m0/s1
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1n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from delta opioid receptor in rat cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50360141
PNG
(CHEMBL1929364)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:0:1:17:26.20.19|
Show InChI InChI=1S/C24H24N2O/c1-26-10-9-24-14-20-17(11-15-5-2-3-7-19(15)25-20)12-18(24)21(26)13-16-6-4-8-22(27)23(16)24/h2-8,11,18,21,27H,9-10,12-14H2,1H3/t18-,21+,24-/m0/s1
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52n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50360141
PNG
(CHEMBL1929364)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:0:1:17:26.20.19|
Show InChI InChI=1S/C24H24N2O/c1-26-10-9-24-14-20-17(11-15-5-2-3-7-19(15)25-20)12-18(24)21(26)13-16-6-4-8-22(27)23(16)24/h2-8,11,18,21,27H,9-10,12-14H2,1H3/t18-,21+,24-/m0/s1
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263n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebrum membranes


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50360141
PNG
(CHEMBL1929364)
Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1cccc(O)c31 |r,THB:0:1:17:26.20.19|
Show InChI InChI=1S/C24H24N2O/c1-26-10-9-24-14-20-17(11-15-5-2-3-7-19(15)25-20)12-18(24)21(26)13-16-6-4-8-22(27)23(16)24/h2-8,11,18,21,27H,9-10,12-14H2,1H3/t18-,21+,24-/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 20: 949-61 (2012)


Article DOI: 10.1016/j.bmc.2011.11.047
BindingDB Entry DOI: 10.7270/Q2H995MX
More data for this
Ligand-Target Pair