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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 546.7
BDBM172424

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))
BDBM172424
PNG
(US9090618, ZA47 | US9598411, Ref. No. ZA47)
Show SMILES OC(=O)CCN1CCC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:29:28:20.21.27:23.25.24|
Show InChI InChI=1S/C34H50N4O2/c39-34(40)14-16-36-15-6-9-26(23-36)20-33-35-31-12-3-4-13-32(31)38(33)30-21-27-10-5-11-28(22-30)37(27)29-18-24-7-1-2-8-25(17-24)19-29/h3-4,12-13,24-30H,1-2,5-11,14-23H2,(H,39,40)/t24-,25+,26-,27-,28+,29-,30+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
117n/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))
BDBM172424
PNG
(US9090618, ZA47 | US9598411, Ref. No. ZA47)
Show SMILES OC(=O)CCN1CCC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 |r,THB:29:28:20.21.27:23.25.24|
Show InChI InChI=1S/C34H50N4O2/c39-34(40)14-16-36-15-6-9-26(23-36)20-33-35-31-12-3-4-13-32(31)38(33)30-21-27-10-5-11-28(22-30)37(27)29-18-24-7-1-2-8-25(17-24)19-29/h3-4,12-13,24-30H,1-2,5-11,14-23H2,(H,39,40)/t24-,25+,26-,27-,28+,29-,30+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
117 -39.6n/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