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SMILES: CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1

InChI Key: InChIKey=JUZVXYOKWDYJPL-MKPDMIMOSA-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 = 469980   
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))
BDBM469980
PNG
(CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-3-[2-(1,...)
Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-7.34,-21.48,;-6.57,-22.81,;-5.03,-22.81,;-7.34,-24.15,;-8.11,-25.48,;-9.65,-25.48,;-10.42,-24.15,;-11.33,-22.9,;-12.79,-23.38,;-13.88,-22.29,;-15.37,-22.69,;-15.77,-24.18,;-16.46,-21.6,;-16.06,-20.11,;-17.15,-19.02,;-18.64,-19.42,;-18.64,-17.88,;-20.12,-19.82,;-19.04,-20.91,;-17.95,-22,;-12.79,-24.92,;-14.13,-25.69,;-11.33,-25.39,;-10.93,-26.88,;-12.02,-27.97,;-13.56,-27.97,;-13.56,-29.51,;-12.02,-29.51,;-9.65,-22.81,;-8.11,-22.81,;-6.57,-25.48,;-7.34,-26.82,;-6.57,-28.15,;-5.03,-28.15,;-4.26,-26.82,;-5.03,-25.48,)|
Show InChI InChI=1S/C27H40N4O4S/c1-28(2)27(23-9-4-3-5-10-23)13-11-26(12-14-27)21-30(25(33)31(26)19-22-7-6-8-22)20-24(32)29-15-17-36(34,35)18-16-29/h3-5,9-10,22H,6-8,11-21H2,1-2H3/t26-,27+
PDB

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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 US10807989 (2020)


BindingDB Entry DOI: 10.7270/Q2222XTM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM469980
PNG
(CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-3-[2-(1,...)
Show SMILES CN(C)[C@]1(CC[C@]2(CN(CC(=O)N3CCS(=O)(=O)CC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(-7.34,-21.48,;-6.57,-22.81,;-5.03,-22.81,;-7.34,-24.15,;-8.11,-25.48,;-9.65,-25.48,;-10.42,-24.15,;-11.33,-22.9,;-12.79,-23.38,;-13.88,-22.29,;-15.37,-22.69,;-15.77,-24.18,;-16.46,-21.6,;-16.06,-20.11,;-17.15,-19.02,;-18.64,-19.42,;-18.64,-17.88,;-20.12,-19.82,;-19.04,-20.91,;-17.95,-22,;-12.79,-24.92,;-14.13,-25.69,;-11.33,-25.39,;-10.93,-26.88,;-12.02,-27.97,;-13.56,-27.97,;-13.56,-29.51,;-12.02,-29.51,;-9.65,-22.81,;-8.11,-22.81,;-6.57,-25.48,;-7.34,-26.82,;-6.57,-28.15,;-5.03,-28.15,;-4.26,-26.82,;-5.03,-25.48,)|
Show InChI InChI=1S/C27H40N4O4S/c1-28(2)27(23-9-4-3-5-10-23)13-11-26(12-14-27)21-30(25(33)31(26)19-22-7-6-8-22)20-24(32)29-15-17-36(34,35)18-16-29/h3-5,9-10,22H,6-8,11-21H2,1-2H3/t26-,27+
PDB

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DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
56.7n/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)


BindingDB Entry DOI: 10.7270/Q2222XTM
More data for this
Ligand-Target Pair