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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM303071'   
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))
BDBM303071
PNG
(US9598447, Ref No. TT)
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(CCP(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13|
Show InChI InChI=1S/C28H40N3O4P/c1-18-11-19-13-20(12-18)15-23(14-19)30-21-5-4-6-22(30)17-24(16-21)31-27-8-3-2-7-25(27)29-26(28(31)32)9-10-36(33,34)35/h2-3,7-8,18-24H,4-6,9-17H2,1H3,(H2,33,34,35)/t18-,19-,20+,21-,22+,23+,24+
PDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
3.40n/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))
BDBM303071
PNG
(US9598447, Ref No. TT)
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(CCP(O)(O)=O)c1=O |r,THB:8:10:17.18.16:12.14.13|
Show InChI InChI=1S/C28H40N3O4P/c1-18-11-19-13-20(12-18)15-23(14-19)30-21-5-4-6-22(30)17-24(16-21)31-27-8-3-2-7-25(27)29-26(28(31)32)9-10-36(33,34)35/h2-3,7-8,18-24H,4-6,9-17H2,1H3,(H2,33,34,35)/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 3.94n/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