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SMILES: COc1cnc(cn1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1

InChI Key: InChIKey=JPURFBYKZZKLOG-JYWISYRRSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 172440   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM172440
PNG
(US9090618, ZA63 | US9598411, Ref. No. ZA63)
Show SMILES COc1cnc(cn1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:26:25:17.18.24:20.22.21|
Show InChI InChI=1S/C29H37N5O/c1-35-28-18-30-26(17-31-28)29-32-25-10-2-3-11-27(25)34(29)24-15-21-8-5-9-22(16-24)33(21)23-13-19-6-4-7-20(12-19)14-23/h2-3,10-11,17-24H,4-9,12-16H2,1H3/t19-,20+,21-,22+,23+,24+
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
4.11n/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))
BDBM172440
PNG
(US9090618, ZA63 | US9598411, Ref. No. ZA63)
Show SMILES COc1cnc(cn1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 |r,THB:26:25:17.18.24:20.22.21|
Show InChI InChI=1S/C29H37N5O/c1-35-28-18-30-26(17-31-28)29-32-25-10-2-3-11-27(25)34(29)24-15-21-8-5-9-22(16-24)33(21)23-13-19-6-4-7-20(12-19)14-23/h2-3,10-11,17-24H,4-9,12-16H2,1H3/t19-,20+,21-,22+,23+,24+
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
4.11 -11.4n/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