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BDBM50108791 18-cyclopropylmethyl-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::CHEMBL436273

SMILES: Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]cc(c1C[C@@]35O)-c1ccccc1

InChI Key: InChIKey=HELJBCMRZADMRA-OZCDKMRVSA-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 = 50108791   
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))
BDBM50108791
PNG
(18-cyclopropylmethyl-5-phenyl-10-oxa-7,18-diazahex...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]cc(c1C[C@@]35O)-c1ccccc1 |TLB:17:18:25:7.13.12,3:4:25:7.13.12|
Show InChI InChI=1S/C28H28N2O3/c31-21-9-8-18-12-22-28(32)13-19-20(17-4-2-1-3-5-17)14-29-24(19)26-27(28,23(18)25(21)33-26)10-11-30(22)15-16-6-7-16/h1-5,8-9,14,16,22,26,29,31-32H,6-7,10-13,15H2/t22?,26-,27-,28+/m0/s1
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2.70n/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))
BDBM50108791
PNG
(18-cyclopropylmethyl-5-phenyl-10-oxa-7,18-diazahex...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]cc(c1C[C@@]35O)-c1ccccc1 |TLB:17:18:25:7.13.12,3:4:25:7.13.12|
Show InChI InChI=1S/C28H28N2O3/c31-21-9-8-18-12-22-28(32)13-19-20(17-4-2-1-3-5-17)14-29-24(19)26-27(28,23(18)25(21)33-26)10-11-30(22)15-16-6-7-16/h1-5,8-9,14,16,22,26,29,31-32H,6-7,10-13,15H2/t22?,26-,27-,28+/m0/s1
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21n/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))
BDBM50108791
PNG
(18-cyclopropylmethyl-5-phenyl-10-oxa-7,18-diazahex...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]cc(c1C[C@@]35O)-c1ccccc1 |TLB:17:18:25:7.13.12,3:4:25:7.13.12|
Show InChI InChI=1S/C28H28N2O3/c31-21-9-8-18-12-22-28(32)13-19-20(17-4-2-1-3-5-17)14-29-24(19)26-27(28,23(18)25(21)33-26)10-11-30(22)15-16-6-7-16/h1-5,8-9,14,16,22,26,29,31-32H,6-7,10-13,15H2/t22?,26-,27-,28+/m0/s1
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45n/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