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BDBM285848 (2S,6R,11R)-3-(Cyclopropylmethyl)-8-(2,5,8,11,14,17,20-heptaoxadocosan-22-ylamino)-6,11-dimethyl-3,4,5,6-tetrahydro-2,6-methano-3-benzazocin-1 (2H)-One (3)::US10081602, Example 3

SMILES: COCCOCCOCCOCCOCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1

InChI Key: InChIKey=BLQLMZRGMGJCLD-QZJGIVKGNA-N

Data: 1 KI  1 IC50  1 EC50

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 3 hits for monomerid = 285848   
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))
BDBM285848
PNG
((2S,6R,11R)-3-(Cyclopropylmethyl)-8-(2,5,8,11,14,1...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1/C34H56N2O8/c1-27-32-33(37)30-8-7-29(25-31(30)34(27,2)9-4-11-36(32)26-28-5-6-28)35-10-12-39-15-16-41-19-20-43-23-24-44-22-21-42-18-17-40-14-13-38-3/h7-8,25,27-28,32,35H,4-6,9-24,26H2,1-3H3/t27-,32-,34-/s2
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PC cid
PC sid
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Article
US Patent
769n/an/an/an/an/an/a7.5n/a



Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)


Article DOI: 10.1016/j.jmb.2005.09.095
BindingDB Entry DOI: 10.7270/Q2N87CT7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM285848
PNG
((2S,6R,11R)-3-(Cyclopropylmethyl)-8-(2,5,8,11,14,1...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1/C34H56N2O8/c1-27-32-33(37)30-8-7-29(25-31(30)34(27,2)9-4-11-36(32)26-28-5-6-28)35-10-12-39-15-16-41-19-20-43-23-24-44-22-21-42-18-17-40-14-13-38-3/h7-8,25,27-28,32,35H,4-6,9-24,26H2,1-3H3/t27-,32-,34-/s2
PDB

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PC cid
PC sid
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Article
US Patent
n/an/an/an/a 122n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)


Article DOI: 10.1016/j.jmb.2005.09.095
BindingDB Entry DOI: 10.7270/Q2N87CT7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM285848
PNG
((2S,6R,11R)-3-(Cyclopropylmethyl)-8-(2,5,8,11,14,1...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1/C34H56N2O8/c1-27-32-33(37)30-8-7-29(25-31(30)34(27,2)9-4-11-36(32)26-28-5-6-28)35-10-12-39-15-16-41-19-20-43-23-24-44-22-21-42-18-17-40-14-13-38-3/h7-8,25,27-28,32,35H,4-6,9-24,26H2,1-3H3/t27-,32-,34-/s2
PDB

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GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.33E+3n/an/an/an/a7.5n/a



Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)


Article DOI: 10.1016/j.jmb.2005.09.095
BindingDB Entry DOI: 10.7270/Q2N87CT7
More data for this
Ligand-Target Pair