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SMILES: OP(O)(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O

InChI Key: InChIKey=ZKFSIMSANMWPAN-KAOPESFCSA-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 = 303065   
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))
BDBM303065
PNG
(US9598447, Ref No. HH)
Show SMILES OP(O)(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O |r,THB:22:21:13.14.20:16.18.17|
Show InChI InChI=1S/C25H34N3O4P/c29-25-24(33(30,31)32)26-22-9-1-2-10-23(22)28(25)21-14-18-7-4-8-19(15-21)27(18)20-12-16-5-3-6-17(11-16)13-20/h1-2,9-10,16-21H,3-8,11-15H2,(H2,30,31,32)/t16-,17+,18-,19+,20+,21+
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7.51n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in ...


US Patent US9598447 (2017)


BindingDB Entry DOI: 10.7270/Q2P27168
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM303065
PNG
(US9598447, Ref No. HH)
Show SMILES OP(O)(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O |r,THB:22:21:13.14.20:16.18.17|
Show InChI InChI=1S/C25H34N3O4P/c29-25-24(33(30,31)32)26-22-9-1-2-10-23(22)28(25)21-14-18-7-4-8-19(15-21)27(18)20-12-16-5-3-6-17(11-16)13-20/h1-2,9-10,16-21H,3-8,11-15H2,(H2,30,31,32)/t16-,17+,18-,19+,20+,21+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 19.3n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in ...


US Patent US9598447 (2017)


BindingDB Entry DOI: 10.7270/Q2P27168
More data for this
Ligand-Target Pair