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SMILES: OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O

InChI Key: InChIKey=WKPMMJFYKKQWLO-WZMLIQCHSA-N

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 = 97716   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM97716
PNG
(US8476271, 97)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:19:20:27:23.24.25|
Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-6-1-2-7-22(21)28(24)20-13-17-8-9-18(14-20)27(17)19-11-15-4-3-5-16(10-15)12-19/h1-2,6-7,15-20H,3-5,8-14H2,(H,30,31)/t15?,16?,17-,18+,19?,20+
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US Patent
203 -9.12n/an/an/an/an/a7.425



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

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.


US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM97716
PNG
(US8476271, 97)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:19:20:27:23.24.25|
Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-6-1-2-7-22(21)28(24)20-13-17-8-9-18(14-20)27(17)19-11-15-4-3-5-16(10-15)12-19/h1-2,6-7,15-20H,3-5,8-14H2,(H,30,31)/t15?,16?,17-,18+,19?,20+
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US Patent
2.69E+3 -7.59n/an/an/an/an/a7.425



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

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.


US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM97716
PNG
(US8476271, 97)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:19:20:27:23.24.25|
Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-6-1-2-7-22(21)28(24)20-13-17-8-9-18(14-20)27(17)19-11-15-4-3-5-16(10-15)12-19/h1-2,6-7,15-20H,3-5,8-14H2,(H,30,31)/t15?,16?,17-,18+,19?,20+
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US Patent
3.83E+3 -7.39n/an/an/an/an/a7.425



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

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.


US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM97716
PNG
(US8476271, 97)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O |r,TLB:19:20:27:23.24.25|
Show InChI InChI=1S/C25H31N3O3/c29-24-23(25(30)31)26-21-6-1-2-7-22(21)28(24)20-13-17-8-9-18(14-20)27(17)19-11-15-4-3-5-16(10-15)12-19/h1-2,6-7,15-20H,3-5,8-14H2,(H,30,31)/t15?,16?,17-,18+,19?,20+
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US Patent
>2.00E+4>-6.41n/an/an/an/an/a7.425



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

US Patent


Assay Description
In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.


US Patent US8476271 (2013)


BindingDB Entry DOI: 10.7270/Q2416VNB
More data for this
Ligand-Target Pair