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SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2c(Cl)c(ccc12)C(O)=O)ccc3O

InChI Key: InChIKey=WQIZKVDMHYQFQL-MYQDRKQUSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50503611   
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))
BDBM50503611
PNG
(CHEMBL4468216)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2c(Cl)c(ccc12)C(O)=O)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C27H25ClN2O5/c28-20-15(25(32)33)5-4-14-16-10-27(34)18-9-13-3-6-17(31)23-19(13)26(27,7-8-30(18)11-12-1-2-12)24(35-23)22(16)29-21(14)20/h3-6,12,18,24,29,31,34H,1-2,7-11H2,(H,32,33)/t18-,24+,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1n/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))
BDBM50503611
PNG
(CHEMBL4468216)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2c(Cl)c(ccc12)C(O)=O)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C27H25ClN2O5/c28-20-15(25(32)33)5-4-14-16-10-27(34)18-9-13-3-6-17(31)23-19(13)26(27,7-8-30(18)11-12-1-2-12)24(35-23)22(16)29-21(14)20/h3-6,12,18,24,29,31,34H,1-2,7-11H2,(H,32,33)/t18-,24+,26+,27-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
19n/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