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SMILES: COc1ccc2[C@@H](O)[C@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(O)CC[C@@]34OC5=O)c2c1

InChI Key: InChIKey=LIQFBPYTWQDTJN-FTSHXLFYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 364564   
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))
BDBM364564
PNG
((4bR,6S,8aS,9R,10R)-11- (cyclopropylmethyl)-6,10-d...)
Show SMILES COc1ccc2[C@@H](O)[C@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(O)CC[C@@]34OC5=O)c2c1 |r,TLB:10:9:22:26.5.6,THB:25:24:16.17:21.20|
Show InChI InChI=1S/C22H27NO5/c1-27-14-4-5-15-16(10-14)20-8-9-23(11-13-2-3-13)18(17(15)24)22(20)7-6-21(26,12-20)19(25)28-22/h4-5,10,13,17-18,24,26H,2-3,6-9,11-12H2,1H3/t17-,18-,20-,21+,22-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
>2.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...


J Med Chem 50: 4255-9 (2007)


BindingDB Entry DOI: 10.7270/Q2222X2R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364564
PNG
((4bR,6S,8aS,9R,10R)-11- (cyclopropylmethyl)-6,10-d...)
Show SMILES COc1ccc2[C@@H](O)[C@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(O)CC[C@@]34OC5=O)c2c1 |r,TLB:10:9:22:26.5.6,THB:25:24:16.17:21.20|
Show InChI InChI=1S/C22H27NO5/c1-27-14-4-5-15-16(10-14)20-8-9-23(11-13-2-3-13)18(17(15)24)22(20)7-6-21(26,12-20)19(25)28-22/h4-5,10,13,17-18,24,26H,2-3,6-9,11-12H2,1H3/t17-,18-,20-,21+,22-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>2.00E+4n/an/an/an/an/an/an/an/a



GNF



Assay Description
Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg mem...


J Med Chem 50: 4255-9 (2007)


BindingDB Entry DOI: 10.7270/Q2222X2R
More data for this
Ligand-Target Pair