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BDBM50108790 7-benzyl-18-methyl-5-phenyl-10-oxa-7,18-diazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-2,12-diol::CHEMBL151476

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O

InChI Key: InChIKey=MEJFDGHXWAVSFS-ZCPWPLGKSA-N

Data: 3 KI  2 EC50

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 5 hits for monomerid = 50108790   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108790
PNG
(7-benzyl-18-methyl-5-phenyl-10-oxa-7,18-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:33:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C32H30N2O3/c1-33-15-14-31-27-22-12-13-25(35)29(27)37-30(31)28-23(17-32(31,36)26(33)16-22)24(21-10-6-3-7-11-21)19-34(28)18-20-8-4-2-5-9-20/h2-13,19,26,30,35-36H,14-18H2,1H3/t26?,30-,31-,32+/m0/s1
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50n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Maximum % effect of standard (DAMGO) was reported against Opioid receptor mu 1


J Med Chem 45: 537-40 (2002)


BindingDB Entry DOI: 10.7270/Q2668DXN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108790
PNG
(7-benzyl-18-methyl-5-phenyl-10-oxa-7,18-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:33:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C32H30N2O3/c1-33-15-14-31-27-22-12-13-25(35)29(27)37-30(31)28-23(17-32(31,36)26(33)16-22)24(21-10-6-3-7-11-21)19-34(28)18-20-8-4-2-5-9-20/h2-13,19,26,30,35-36H,14-18H2,1H3/t26?,30-,31-,32+/m0/s1
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116n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)


J Med Chem 45: 537-40 (2002)


BindingDB Entry DOI: 10.7270/Q2668DXN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108790
PNG
(7-benzyl-18-methyl-5-phenyl-10-oxa-7,18-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:33:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C32H30N2O3/c1-33-15-14-31-27-22-12-13-25(35)29(27)37-30(31)28-23(17-32(31,36)26(33)16-22)24(21-10-6-3-7-11-21)19-34(28)18-20-8-4-2-5-9-20/h2-13,19,26,30,35-36H,14-18H2,1H3/t26?,30-,31-,32+/m0/s1
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187n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593


J Med Chem 45: 537-40 (2002)


BindingDB Entry DOI: 10.7270/Q2668DXN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108790
PNG
(7-benzyl-18-methyl-5-phenyl-10-oxa-7,18-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:33:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C32H30N2O3/c1-33-15-14-31-27-22-12-13-25(35)29(27)37-30(31)28-23(17-32(31,36)26(33)16-22)24(21-10-6-3-7-11-21)19-34(28)18-20-8-4-2-5-9-20/h2-13,19,26,30,35-36H,14-18H2,1H3/t26?,30-,31-,32+/m0/s1
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n/an/an/an/a 55n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Partial agonist activity tested in [35S]GTP-gamma-S, Recombinant Human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3...


J Med Chem 45: 537-40 (2002)


BindingDB Entry DOI: 10.7270/Q2668DXN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108790
PNG
(7-benzyl-18-methyl-5-phenyl-10-oxa-7,18-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:33:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C32H30N2O3/c1-33-15-14-31-27-22-12-13-25(35)29(27)37-30(31)28-23(17-32(31,36)26(33)16-22)24(21-10-6-3-7-11-21)19-34(28)18-20-8-4-2-5-9-20/h2-13,19,26,30,35-36H,14-18H2,1H3/t26?,30-,31-,32+/m0/s1
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n/an/an/an/a 41n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Maximum percentage effect of standard Opioid receptor delta 1 (Cl-DPDPE)


J Med Chem 45: 537-40 (2002)


BindingDB Entry DOI: 10.7270/Q2668DXN
More data for this
Ligand-Target Pair