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BDBM364547 (4bR,6S,8aS,9R)-N-benzyl-11- (cyclopropylmethyl)-3-methoxy- 5,6,7,8,9,10- hexahydro-9,4b-(epiminoethano)- 8a,6-(epoxymethano)phenanthren-6-amine::US9862726, Compound 10

SMILES: COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NCc3ccccc3)c2c1

InChI Key: InChIKey=YEFFSSRBXCFUDF-VCUUIAPISA-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 = 364547   
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))
BDBM364547
PNG
((4bR,6S,8aS,9R)-N-benzyl-11- (cyclopropylmethyl)-3...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NCc3ccccc3)c2c1 |r,TLB:9:8:20:31.5.6|
Show InChI InChI=1S/C29H36N2O2/c1-32-24-10-9-23-15-26-29-12-11-27(20-33-29,30-17-21-5-3-2-4-6-21)19-28(29,25(23)16-24)13-14-31(26)18-22-7-8-22/h2-6,9-10,16,22,26,30H,7-8,11-15,17-20H2,1H3/t26-,27?,28-,29-/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.0260n/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))
BDBM364547
PNG
((4bR,6S,8aS,9R)-N-benzyl-11- (cyclopropylmethyl)-3...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NCc3ccccc3)c2c1 |r,TLB:9:8:20:31.5.6|
Show InChI InChI=1S/C29H36N2O2/c1-32-24-10-9-23-15-26-29-12-11-27(20-33-29,30-17-21-5-3-2-4-6-21)19-28(29,25(23)16-24)13-14-31(26)18-22-7-8-22/h2-6,9-10,16,22,26,30H,7-8,11-15,17-20H2,1H3/t26-,27?,28-,29-/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
25.9n/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