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SMILES: CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccnc(n2)C#N)CC1)c1ccccc1

InChI Key: InChIKey=GZZWFHJHLURUGF-WMPKNSHKSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 469405   
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))
BDBM469405
PNG
(US10807988, Example SC_3048 | cis-4-[1-(Cyclobuty1...)
Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccnc(n2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.33,-24.84,;3.85,-24.44,;3.45,-22.95,;2.76,-25.53,;1.99,-26.86,;.45,-26.86,;-.32,-25.53,;-1.23,-24.28,;-2.69,-24.76,;-2.69,-26.3,;-3.94,-27.2,;-1.23,-26.78,;-.75,-28.24,;-1.78,-29.38,;-3.32,-29.38,;-3.32,-30.92,;-1.78,-30.92,;-3.78,-23.67,;-5.27,-24.07,;-6.36,-22.98,;-5.96,-21.49,;-4.47,-21.09,;-3.38,-22.18,;-4.07,-19.61,;-3.67,-18.12,;.45,-24.2,;1.99,-24.2,;3.69,-26.75,;3.1,-28.17,;4.04,-29.4,;5.57,-29.2,;6.16,-27.77,;5.22,-26.55,)|
Show InChI InChI=1S/C26H32N6O/c1-30(2)26(21-9-4-3-5-10-21)14-12-25(13-15-26)19-31(23-11-16-28-22(17-27)29-23)24(33)32(25)18-20-7-6-8-20/h3-5,9-11,16,20H,6-8,12-15,18-19H2,1-2H3/t25-,26+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Grünenthal GmbH

US Patent


Assay Description
The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 mM M...


US Patent US10807988 (2020)


BindingDB Entry DOI: 10.7270/Q25Q5060
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM469405
PNG
(US10807988, Example SC_3048 | cis-4-[1-(Cyclobuty1...)
Show SMILES CN(C)[C@]1(CC[C@]2(CN(C(=O)N2CC2CCC2)c2ccnc(n2)C#N)CC1)c1ccccc1 |r,wU:6.11,3.2,(5.33,-24.84,;3.85,-24.44,;3.45,-22.95,;2.76,-25.53,;1.99,-26.86,;.45,-26.86,;-.32,-25.53,;-1.23,-24.28,;-2.69,-24.76,;-2.69,-26.3,;-3.94,-27.2,;-1.23,-26.78,;-.75,-28.24,;-1.78,-29.38,;-3.32,-29.38,;-3.32,-30.92,;-1.78,-30.92,;-3.78,-23.67,;-5.27,-24.07,;-6.36,-22.98,;-5.96,-21.49,;-4.47,-21.09,;-3.38,-22.18,;-4.07,-19.61,;-3.67,-18.12,;.45,-24.2,;1.99,-24.2,;3.69,-26.75,;3.1,-28.17,;4.04,-29.4,;5.57,-29.2,;6.16,-27.77,;5.22,-26.55,)|
Show InChI InChI=1S/C26H32N6O/c1-30(2)26(21-9-4-3-5-10-21)14-12-25(13-15-26)19-31(23-11-16-28-22(17-27)29-23)24(33)32(25)18-20-7-6-8-20/h3-5,9-11,16,20H,6-8,12-15,18-19H2,1-2H3/t25-,26+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
38.5n/an/an/an/an/an/an/an/a



Grünenthal GmbH

US Patent


Assay Description
The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl (pH 7.4)...


US Patent US10807988 (2020)


BindingDB Entry DOI: 10.7270/Q25Q5060
More data for this
Ligand-Target Pair