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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 605.8
BDBM172415

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))
BDBM172415
PNG
(US9090618, ZA38 | US9598411, Ref. No. ZA38)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:33:32:24.25.31:27.29.28|
Show InChI InChI=1S/C34H47N5O3S/c1-22-33(23(2)42-36-22)43(40,41)37-16-8-15-32(37)34-35-30-13-5-6-14-31(30)39(34)29-20-26-11-7-12-27(21-29)38(26)28-18-24-9-3-4-10-25(17-24)19-28/h5-6,13-14,24-29,32H,3-4,7-12,15-21H2,1-2H3/t24-,25+,26-,27+,28-,29+,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
780n/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))
BDBM172415
PNG
(US9090618, ZA38 | US9598411, Ref. No. ZA38)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:33:32:24.25.31:27.29.28|
Show InChI InChI=1S/C34H47N5O3S/c1-22-33(23(2)42-36-22)43(40,41)37-16-8-15-32(37)34-35-30-13-5-6-14-31(30)39(34)29-20-26-11-7-12-27(21-29)38(26)28-18-24-9-3-4-10-25(17-24)19-28/h5-6,13-14,24-29,32H,3-4,7-12,15-21H2,1-2H3/t24-,25+,26-,27+,28-,29+,32-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
780 -34.9n/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