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BDBM50311478 2-{1-[1-(Decahydro-naphthalen-2-yl)-piperidin-4-yl]-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-benzo[1,2,6]thiadiazin-3-yl}-N-methyl-acetamide::CHEMBL1079943

SMILES: CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC3CCCCC3C2)S1(=O)=O

InChI Key: InChIKey=XSGXITVXIZLDNN-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50311478   
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))
BDBM50311478
PNG
(2-{1-[1-(Decahydro-naphthalen-2-yl)-piperidin-4-yl...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC3CCCCC3C2)S1(=O)=O
Show InChI InChI=1S/C25H38N4O3S/c1-26-25(30)18-28-17-21-8-4-5-9-24(21)29(33(28,31)32)22-12-14-27(15-13-22)23-11-10-19-6-2-3-7-20(19)16-23/h4-5,8-9,19-20,22-23H,2-3,6-7,10-18H2,1H3,(H,26,30)
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Article
PubMed
5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50311478
PNG
(2-{1-[1-(Decahydro-naphthalen-2-yl)-piperidin-4-yl...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC3CCCCC3C2)S1(=O)=O
Show InChI InChI=1S/C25H38N4O3S/c1-26-25(30)18-28-17-21-8-4-5-9-24(21)29(33(28,31)32)22-12-14-27(15-13-22)23-11-10-19-6-2-3-7-20(19)16-23/h4-5,8-9,19-20,22-23H,2-3,6-7,10-18H2,1H3,(H,26,30)
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50311478
PNG
(2-{1-[1-(Decahydro-naphthalen-2-yl)-piperidin-4-yl...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCC3CCCCC3C2)S1(=O)=O
Show InChI InChI=1S/C25H38N4O3S/c1-26-25(30)18-28-17-21-8-4-5-9-24(21)29(33(28,31)32)22-12-14-27(15-13-22)23-11-10-19-6-2-3-7-20(19)16-23/h4-5,8-9,19-20,22-23H,2-3,6-7,10-18H2,1H3,(H,26,30)
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Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 2 hrs


Bioorg Med Chem Lett 19: 6441-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.028
BindingDB Entry DOI: 10.7270/Q21J99W7
More data for this
Ligand-Target Pair