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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 520.7
BDBM172379

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))
BDBM172379
PNG
(US9090618, E56c(ii) | US9598411, Ref. No. E56c(ii))
Show SMILES OC(=O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1 |r,THB:28:27:19.20.26:22.24.23|
Show InChI InChI=1S/C32H48N4O2/c37-31(38)23-34-20-11-10-19-30(34)32-33-28-17-8-9-18-29(28)36(32)27-21-25-15-12-16-26(22-27)35(25)24-13-6-4-2-1-3-5-7-14-24/h8-9,17-18,24-27,30H,1-7,10-16,19-23H2,(H,37,38)/t25-,26+,27+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
583n/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))
BDBM172379
PNG
(US9090618, E56c(ii) | US9598411, Ref. No. E56c(ii))
Show SMILES OC(=O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1 |r,THB:28:27:19.20.26:22.24.23|
Show InChI InChI=1S/C32H48N4O2/c37-31(38)23-34-20-11-10-19-30(34)32-33-28-17-8-9-18-29(28)36(32)27-21-25-15-12-16-26(22-27)35(25)24-13-6-4-2-1-3-5-7-14-24/h8-9,17-18,24-27,30H,1-7,10-16,19-23H2,(H,37,38)/t25-,26+,27+,30-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
583 -35.6n/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