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SMILES: COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C[C@]21C)c1cc(Br)oc1Br

InChI Key: InChIKey=USTSOTFFGSVWIP-LNYQLWRHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50362543   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50362543
PNG
(CHEMBL1941034)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C[C@]21C)c1cc(Br)oc1Br |r|
Show InChI InChI=1S/C23H26Br2O8/c1-10(26)31-14-8-13(20(28)30-4)22(2)6-5-12-21(29)32-15(11-7-16(24)33-19(11)25)9-23(12,3)18(22)17(14)27/h7,12-15,18H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,18-,22-,23-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOPR expressed in CHO cells


Bioorg Med Chem Lett 22: 1023-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.128
BindingDB Entry DOI: 10.7270/Q2S182X2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50362543
PNG
(CHEMBL1941034)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C[C@]21C)c1cc(Br)oc1Br |r|
Show InChI InChI=1S/C23H26Br2O8/c1-10(26)31-14-8-13(20(28)30-4)22(2)6-5-12-21(29)32-15(11-7-16(24)33-19(11)25)9-23(12,3)18(22)17(14)27/h7,12-15,18H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,18-,22-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
318n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOPR expressed in CHO cells


Bioorg Med Chem Lett 22: 1023-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.128
BindingDB Entry DOI: 10.7270/Q2S182X2
More data for this
Ligand-Target Pair