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BDBM50108793 7-benzyl-12-methoxy-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)-pentaen-2-ol::CHEMBL356186

SMILES: COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1

InChI Key: InChIKey=KBKTWSOCLDXSQT-OSLYBJCVSA-N

Data: 3 KI

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 = 50108793   
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))
BDBM50108793
PNG
(7-benzyl-12-methoxy-18-methyl-5-phenyl-10-oxa-7,18...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:4:5:20:8.11.10,15:16:20:8.11.10|
Show InChI InChI=1S/C33H32N2O3/c1-34-16-15-32-28-23-13-14-26(37-2)30(28)38-31(32)29-24(18-33(32,36)27(34)17-23)25(22-11-7-4-8-12-22)20-35(29)19-21-9-5-3-6-10-21/h3-14,20,27,31,36H,15-19H2,1-2H3/t27?,31-,32-,33+/m0/s1
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PC cid
PC sid
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322n/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108793
PNG
(7-benzyl-12-methoxy-18-methyl-5-phenyl-10-oxa-7,18...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:4:5:20:8.11.10,15:16:20:8.11.10|
Show InChI InChI=1S/C33H32N2O3/c1-34-16-15-32-28-23-13-14-26(37-2)30(28)38-31(32)29-24(18-33(32,36)27(34)17-23)25(22-11-7-4-8-12-22)20-35(29)19-21-9-5-3-6-10-21/h3-14,20,27,31,36H,15-19H2,1-2H3/t27?,31-,32-,33+/m0/s1
PDB

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PC cid
PC sid
UniChem
PubMed
>1.00E+4n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108793
PNG
(7-benzyl-12-methoxy-18-methyl-5-phenyl-10-oxa-7,18...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:4:5:20:8.11.10,15:16:20:8.11.10|
Show InChI InChI=1S/C33H32N2O3/c1-34-16-15-32-28-23-13-14-26(37-2)30(28)38-31(32)29-24(18-33(32,36)27(34)17-23)25(22-11-7-4-8-12-22)20-35(29)19-21-9-5-3-6-10-21/h3-14,20,27,31,36H,15-19H2,1-2H3/t27?,31-,32-,33+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/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