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SMILES: COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)N(Cc3ccccc3)Cc3ccccc3)c2c1

InChI Key: InChIKey=RYSBXKZECBWSNG-BYOBZOMRSA-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 = 364544   
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))
BDBM364544
PNG
((4bR,6S,8aS,9R)-N,N-dibenzyl-11- (cyclopropylmethy...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)N(Cc3ccccc3)Cc3ccccc3)c2c1 |r,TLB:9:8:20:38.5.6|
Show InChI InChI=1S/C36H42N2O2/c1-39-31-15-14-30-20-33-36-17-16-34(26-40-36,25-35(36,32(30)21-31)18-19-37(33)22-29-12-13-29)38(23-27-8-4-2-5-9-27)24-28-10-6-3-7-11-28/h2-11,14-15,21,29,33H,12-13,16-20,22-26H2,1H3/t33-,34?,35-,36-/m1/s1
PDB

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PC cid
PC sid
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5.35n/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))
BDBM364544
PNG
((4bR,6S,8aS,9R)-N,N-dibenzyl-11- (cyclopropylmethy...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)N(Cc3ccccc3)Cc3ccccc3)c2c1 |r,TLB:9:8:20:38.5.6|
Show InChI InChI=1S/C36H42N2O2/c1-39-31-15-14-30-20-33-36-17-16-34(26-40-36,25-35(36,32(30)21-31)18-19-37(33)22-29-12-13-29)38(23-27-8-4-2-5-9-27)24-28-10-6-3-7-11-28/h2-11,14-15,21,29,33H,12-13,16-20,22-26H2,1H3/t33-,34?,35-,36-/m1/s1
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
64.3n/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