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SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C(=O)OC)=C2O)ccc3O

InChI Key: InChIKey=NVHFGYPLUMMTSX-GZIHESCCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50503612   
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))
BDBM50503612
PNG
(CHEMBL4459343)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C(=O)OC)=C2O)ccc3O |r,c:34,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C26H32N2O7/c1-24(2,23(32)34-3)27-22(31)15-11-26(33)17-10-14-6-7-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-4-5-13/h6-7,13,17,21,29-30,33H,4-5,8-12H2,1-3H3,(H,27,31)/t17-,21+,25+,26-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



Shionogi Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 29: 73-77 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.007
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50503612
PNG
(CHEMBL4459343)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C(=O)OC)=C2O)ccc3O |r,c:34,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C26H32N2O7/c1-24(2,23(32)34-3)27-22(31)15-11-26(33)17-10-14-6-7-16(29)20-18(14)25(26,21(35-20)19(15)30)8-9-28(17)12-13-4-5-13/h6-7,13,17,21,29-30,33H,4-5,8-12H2,1-3H3,(H,27,31)/t17-,21+,25+,26-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a



Shionogi Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 29: 73-77 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.007
More data for this
Ligand-Target Pair