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SMILES: CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)c1ccc2cc(O)ccc2c1

InChI Key: InChIKey=YPKQMHKJOIWRQX-FCIAUAKVSA-N

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 3 hits for monomerid = 50378782   
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))
BDBM50378782
PNG
(CHEMBL1204084)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)c1ccc2cc(O)ccc2c1 |r|
Show InChI InChI=1S/C29H36N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-11,14-16,19-20,27,32-33H,12-13,17-18H2,1-4H3,(H,30,34)/t20-,27+,29+/m0/s1
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PC cid
PC sid
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n/an/an/an/a 380n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
BindingDB Entry DOI: 10.7270/Q2K35VNP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50378782
PNG
(CHEMBL1204084)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)c1ccc2cc(O)ccc2c1 |r|
Show InChI InChI=1S/C29H36N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-11,14-16,19-20,27,32-33H,12-13,17-18H2,1-4H3,(H,30,34)/t20-,27+,29+/m0/s1
PDB

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 120n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
BindingDB Entry DOI: 10.7270/Q2K35VNP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50378782
PNG
(CHEMBL1204084)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)c1ccc2cc(O)ccc2c1 |r|
Show InChI InChI=1S/C29H36N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-11,14-16,19-20,27,32-33H,12-13,17-18H2,1-4H3,(H,30,34)/t20-,27+,29+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


J Med Chem 53: 5290-301 (2010)


Article DOI: 10.1021/jm1004978
BindingDB Entry DOI: 10.7270/Q2K35VNP
More data for this
Ligand-Target Pair