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BDBM50248968 14beta-Cinnamoyloxy-N-cyclopropylmethyl-7,8-dihydronormorphinone::CHEMBL473206

SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1

InChI Key: InChIKey=JGNAFYMWPWRALJ-QGCOSWPOSA-N

Data: 2 KI

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 2 hits for monomerid = 50248968   
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50248968
PNG
(14beta-Cinnamoyloxy-N-cyclopropylmethyl-7,8-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H29NO5/c31-21-10-9-20-16-23-29(35-24(33)11-8-18-4-2-1-3-5-18)13-12-22(32)27-28(29,25(20)26(21)34-27)14-15-30(23)17-19-6-7-19/h1-5,8-11,19,23,27,31H,6-7,12-17H2/b11-8+/t23-,27+,28+,29-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Hartely guinea pig brain membrane


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50248968
PNG
(14beta-Cinnamoyloxy-N-cyclopropylmethyl-7,8-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H29NO5/c31-21-10-9-20-16-23-29(35-24(33)11-8-18-4-2-1-3-5-18)13-12-22(32)27-28(29,25(20)26(21)34-27)14-15-30(23)17-19-6-7-19/h1-5,8-11,19,23,27,31H,6-7,12-17H2/b11-8+/t23-,27+,28+,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in Hartely guinea pig brain membrane


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair