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SMILES: [O-][N+](=O)c1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1[c-]2ccccc2nc1=[OH+]

InChI Key: InChIKey=JNXQBLPJDIDZSS-UHFFFAOYSA-O

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50105068   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105068
PNG
(4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...)
Show SMILES [O-][N+](=O)c1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1[c-]2ccccc2nc1=[OH+]
Show InChI InChI=1S/C21H19N4O7/c26-20-22-15-3-1-2-4-16(15)24(20)14-5-7-23(8-6-14)21(27)30-11-13-9-18-19(32-12-31-18)10-17(13)25(28)29/h1-4,9-10,14H,5-8,11-12H2/q-1/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105068
PNG
(4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...)
Show SMILES [O-][N+](=O)c1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1[c-]2ccccc2nc1=[OH+]
Show InChI InChI=1S/C21H19N4O7/c26-20-22-15-3-1-2-4-16(15)24(20)14-5-7-23(8-6-14)21(27)30-11-13-9-18-19(32-12-31-18)10-17(13)25(28)29/h1-4,9-10,14H,5-8,11-12H2/q-1/p+1
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n/an/a 1.05E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against mu opiate receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105068
PNG
(4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...)
Show SMILES [O-][N+](=O)c1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1[c-]2ccccc2nc1=[OH+]
Show InChI InChI=1S/C21H19N4O7/c26-20-22-15-3-1-2-4-16(15)24(20)14-5-7-23(8-6-14)21(27)30-11-13-9-18-19(32-12-31-18)10-17(13)25(28)29/h1-4,9-10,14H,5-8,11-12H2/q-1/p+1
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n/an/a 1.05E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105068
PNG
(4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...)
Show SMILES [O-][N+](=O)c1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1[c-]2ccccc2nc1=[OH+]
Show InChI InChI=1S/C21H19N4O7/c26-20-22-15-3-1-2-4-16(15)24(20)14-5-7-23(8-6-14)21(27)30-11-13-9-18-19(32-12-31-18)10-17(13)25(28)29/h1-4,9-10,14H,5-8,11-12H2/q-1/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair