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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 490.6
BDBM172401

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM172401
PNG
(US9090618, ZA14 | US9598411, Ref. No. ZA14)
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)n1c(nc2ccccc12)N1CCC[C@H]1C(O)=O |r,THB:8:10:17.18.16:12.14.13|
Show InChI InChI=1S/C30H42N4O2/c1-19-12-20-14-21(13-19)16-24(15-20)33-22-6-4-7-23(33)18-25(17-22)34-27-9-3-2-8-26(27)31-30(34)32-11-5-10-28(32)29(35)36/h2-3,8-9,19-25,28H,4-7,10-18H2,1H3,(H,35,36)/t19-,20-,21+,22-,23+,24+,25+,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
505n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
δ-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#...


US Patent US9598411 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6V9S
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM172401
PNG
(US9090618, ZA14 | US9598411, Ref. No. ZA14)
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)n1c(nc2ccccc12)N1CCC[C@H]1C(O)=O |r,THB:8:10:17.18.16:12.14.13|
Show InChI InChI=1S/C30H42N4O2/c1-19-12-20-14-21(13-19)16-24(15-20)33-22-6-4-7-23(33)18-25(17-22)34-27-9-3-2-8-26(27)31-30(34)32-11-5-10-28(32)29(35)36/h2-3,8-9,19-25,28H,4-7,10-18H2,1H3,(H,35,36)/t19-,20-,21+,22-,23+,24+,25+,28-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
505 -35.9n/an/an/an/an/a7.425



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 ug membrane protein in a fin...


US Patent US9090618 (2015)


BindingDB Entry DOI: 10.7270/Q2G73CGB
More data for this
Ligand-Target Pair