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BDBM469922 CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3- diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonyl-ethyl)-acetamide::US10807989, Example SC_1152

SMILES: CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCS(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1

InChI Key: InChIKey=YCVRKJCDGYHGNO-WMPKNSHKSA-N

Data: 2 KI

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 = 469922   
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))
BDBM469922
PNG
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)
Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCS(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.21,(17.11,-6.79,;17.5,-8.28,;18.99,-8.68,;16.42,-9.37,;15.65,-10.7,;14.11,-10.7,;13.34,-9.37,;12.43,-8.12,;10.97,-8.6,;9.63,-7.83,;8.3,-8.6,;8.3,-10.14,;6.96,-7.83,;5.63,-8.6,;4.3,-7.83,;2.96,-8.6,;1.63,-7.83,;1.87,-9.69,;4.05,-9.69,;10.97,-10.14,;9.63,-10.91,;12.43,-10.62,;12.83,-12.1,;11.74,-13.19,;10.2,-13.19,;10.2,-14.73,;11.74,-14.73,;14.11,-8.04,;15.65,-8.04,;17.75,-10.14,;17.75,-11.68,;19.08,-12.45,;20.42,-11.68,;20.42,-10.14,;19.08,-9.37,)|
Show InChI InChI=1S/C26H40N4O4S/c1-28(2)26(22-10-5-4-6-11-22)14-12-25(13-15-26)20-29(19-23(31)27-16-17-35(3,33)34)24(32)30(25)18-21-8-7-9-21/h4-6,10-11,21H,7-9,12-20H2,1-3H3,(H,27,31)/t25-,26+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
0.900n/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 US10807989 (2020)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM469922
PNG
(CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo...)
Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)NCCS(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:3.2,6.21,(17.11,-6.79,;17.5,-8.28,;18.99,-8.68,;16.42,-9.37,;15.65,-10.7,;14.11,-10.7,;13.34,-9.37,;12.43,-8.12,;10.97,-8.6,;9.63,-7.83,;8.3,-8.6,;8.3,-10.14,;6.96,-7.83,;5.63,-8.6,;4.3,-7.83,;2.96,-8.6,;1.63,-7.83,;1.87,-9.69,;4.05,-9.69,;10.97,-10.14,;9.63,-10.91,;12.43,-10.62,;12.83,-12.1,;11.74,-13.19,;10.2,-13.19,;10.2,-14.73,;11.74,-14.73,;14.11,-8.04,;15.65,-8.04,;17.75,-10.14,;17.75,-11.68,;19.08,-12.45,;20.42,-11.68,;20.42,-10.14,;19.08,-9.37,)|
Show InChI InChI=1S/C26H40N4O4S/c1-28(2)26(22-10-5-4-6-11-22)14-12-25(13-15-26)20-29(19-23(31)27-16-17-35(3,33)34)24(32)30(25)18-21-8-7-9-21/h4-6,10-11,21H,7-9,12-20H2,1-3H3,(H,27,31)/t25-,26+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
13.7n/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 US10807989 (2020)

More data for this
Ligand-Target Pair