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BDBM50311486 2-[1-(1-Cyclodecyl-piperidin-4-yl)-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-benzo[1,2,6]thiadiazin-3-yl]-N-methyl-acetamide::CHEMBL1079400

SMILES: CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O

InChI Key: InChIKey=RZDUOQROGWWVSU-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50311486   
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))
BDBM50311486
PNG
(2-[1-(1-Cyclodecyl-piperidin-4-yl)-2,2-dioxo-1,4-d...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
Show InChI InChI=1S/C25H40N4O3S/c1-26-25(30)20-28-19-21-11-9-10-14-24(21)29(33(28,31)32)23-15-17-27(18-16-23)22-12-7-5-3-2-4-6-8-13-22/h9-11,14,22-23H,2-8,12-13,15-20H2,1H3,(H,26,30)
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PC cid
PC sid
UniChem
Article
PubMed
0.600n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50311486
PNG
(2-[1-(1-Cyclodecyl-piperidin-4-yl)-2,2-dioxo-1,4-d...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
Show InChI InChI=1S/C25H40N4O3S/c1-26-25(30)20-28-19-21-11-9-10-14-24(21)29(33(28,31)32)23-15-17-27(18-16-23)22-12-7-5-3-2-4-6-8-13-22/h9-11,14,22-23H,2-8,12-13,15-20H2,1H3,(H,26,30)
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2.20n/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))
BDBM50311486
PNG
(2-[1-(1-Cyclodecyl-piperidin-4-yl)-2,2-dioxo-1,4-d...)
Show SMILES CNC(=O)CN1Cc2ccccc2N(C2CCN(CC2)C2CCCCCCCCC2)S1(=O)=O
Show InChI InChI=1S/C25H40N4O3S/c1-26-25(30)20-28-19-21-11-9-10-14-24(21)29(33(28,31)32)23-15-17-27(18-16-23)22-12-7-5-3-2-4-6-8-13-22/h9-11,14,22-23H,2-8,12-13,15-20H2,1H3,(H,26,30)
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n/an/a 5.20n/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