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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM303061'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM303061
PNG
(US9598447, Ref No. AA)
Show SMILES CCOP(=O)(OCC)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC2CC(C3)C4)c1=O |r,TLB:28:27:32:29.30,THB:25:24:17.18.23:20.21,28:29:32:33.27.26,30:31:29.28:26|
Show InChI InChI=1S/C28H38N3O4P/c1-3-34-36(33,35-4-2)26-27(32)30(25-8-6-5-7-24(25)29-26)23-14-21-9-10-22(15-23)31(21)28-16-18-11-19(17-28)13-20(28)12-18/h5-8,18-23H,3-4,9-17H2,1-2H3/t18?,19?,20?,21-,22+,23+,28?
PDB

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PC cid
PC sid
UniChem
US Patent
48.1n/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))
BDBM303061
PNG
(US9598447, Ref No. AA)
Show SMILES CCOP(=O)(OCC)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC2CC(C3)C4)c1=O |r,TLB:28:27:32:29.30,THB:25:24:17.18.23:20.21,28:29:32:33.27.26,30:31:29.28:26|
Show InChI InChI=1S/C28H38N3O4P/c1-3-34-36(33,35-4-2)26-27(32)30(25-8-6-5-7-24(25)29-26)23-14-21-9-10-22(15-23)31(21)28-16-18-11-19(17-28)13-20(28)12-18/h5-8,18-23H,3-4,9-17H2,1-2H3/t18?,19?,20?,21-,22+,23+,28?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 184n/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