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BDBM303068 US9598447, Ref No. OO

SMILES: C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(NCCP(O)(O)=O)c1=O

InChI Key: InChIKey=ZGGGKLZIJSBTKM-PJSQHTMTSA-N

Data: 1 KI  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 2 hits for monomerid = 303068   
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))
BDBM303068
PNG
(US9598447, Ref No. OO)
Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(NCCP(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13|
Show InChI InChI=1S/C28H41N4O4P/c1-18-11-19-13-20(12-18)15-23(14-19)31-21-5-4-6-22(31)17-24(16-21)32-26-8-3-2-7-25(26)30-27(28(32)33)29-9-10-37(34,35)36/h2-3,7-8,18-24H,4-6,9-17H2,1H3,(H,29,30)(H2,34,35,36)/t18-,19-,20+,21-,22+,23+,24+
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.92n/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))
BDBM303068
PNG
(US9598447, Ref No. OO)
Show SMILES C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(NCCP(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13|
Show InChI InChI=1S/C28H41N4O4P/c1-18-11-19-13-20(12-18)15-23(14-19)31-21-5-4-6-22(31)17-24(16-21)32-26-8-3-2-7-25(26)30-27(28(32)33)29-9-10-37(34,35)36/h2-3,7-8,18-24H,4-6,9-17H2,1H3,(H,29,30)(H2,34,35,36)/t18-,19-,20+,21-,22+,23+,24+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.92n/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