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BDBM133918 US8846929, 94

SMILES: NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O

InChI Key: InChIKey=LSINLLSZBVYZJF-BWTSREIZSA-N

Data: 4 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 4 hits for monomerid = 133918   
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
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM133918
PNG
(US8846929, 94)
Show SMILES NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C24H32N4O2/c25-23(29)22-24(30)28(21-11-7-6-10-20(21)26-22)19-14-17-12-13-18(15-19)27(17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-19H,1-5,8-9,12-15H2,(H2,25,29)/t17-,18+,19+
KEGG

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antibodypedia
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PC sid
UniChem

Similars

US Patent
4.42n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM133918
PNG
(US8846929, 94)
Show SMILES NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C24H32N4O2/c25-23(29)22-24(30)28(21-11-7-6-10-20(21)26-22)19-14-17-12-13-18(15-19)27(17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-19H,1-5,8-9,12-15H2,(H2,25,29)/t17-,18+,19+
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US Patent
154n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4-0.8nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM133918
PNG
(US8846929, 94)
Show SMILES NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C24H32N4O2/c25-23(29)22-24(30)28(21-11-7-6-10-20(21)26-22)19-14-17-12-13-18(15-19)27(17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-19H,1-5,8-9,12-15H2,(H2,25,29)/t17-,18+,19+
PDB

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US Patent
819n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement binding assays for u-opioid receptors used 0.2nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20mg membrane protein/w...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM133918
PNG
(US8846929, 94)
Show SMILES NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
Show InChI InChI=1S/C24H32N4O2/c25-23(29)22-24(30)28(21-11-7-6-10-20(21)26-22)19-14-17-12-13-18(15-19)27(17)16-8-4-2-1-3-5-9-16/h6-7,10-11,16-19H,1-5,8-9,12-15H2,(H2,25,29)/t17-,18+,19+
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US Patent
2.53E+4n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement assays used 0.2nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20ug membrane protein (recombinant delta opioid recepto...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair