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SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cc(OCc4ccccc4)ccc2c1C[C@@]35O

InChI Key: InChIKey=KTXWLWWFYDYESF-MNKNVGQRSA-N

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 6 hits for monomerid = 50065852   
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


(Rattus norvegicus (rat))
BDBM50065852
PNG
(8-benzyloxy-22-cyclopropylmethyl-14-oxa-11,22-diaz...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cc(OCc4ccccc4)ccc2c1C[C@@]35O
Show InChI InChI=1S/C33H32N2O4/c36-26-11-8-21-14-27-33(37)16-24-23-10-9-22(38-18-20-4-2-1-3-5-20)15-25(23)34-29(24)31-32(33,28(21)30(26)39-31)12-13-35(27)17-19-6-7-19/h1-5,8-11,15,19,27,31,34,36-37H,6-7,12-14,16-18H2/t27-,31?,32+,33-/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from morphine-insensitive Opioid receptor delta 1 (presence of 50 nM morphine) of rat brain membranes


J Med Chem 41: 2872-81 (1998)


Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50065852
PNG
(8-benzyloxy-22-cyclopropylmethyl-14-oxa-11,22-diaz...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cc(OCc4ccccc4)ccc2c1C[C@@]35O
Show InChI InChI=1S/C33H32N2O4/c36-26-11-8-21-14-27-33(37)16-24-23-10-9-22(38-18-20-4-2-1-3-5-20)15-25(23)34-29(24)31-32(33,28(21)30(26)39-31)12-13-35(27)17-19-6-7-19/h1-5,8-11,15,19,27,31,34,36-37H,6-7,12-14,16-18H2/t27-,31?,32+,33-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from Opioid receptor delta 1 of rat brain membranes (DAMGO quenching mu receptor)


J Med Chem 41: 2872-81 (1998)


Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50065852
PNG
(8-benzyloxy-22-cyclopropylmethyl-14-oxa-11,22-diaz...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cc(OCc4ccccc4)ccc2c1C[C@@]35O
Show InChI InChI=1S/C33H32N2O4/c36-26-11-8-21-14-27-33(37)16-24-23-10-9-22(38-18-20-4-2-1-3-5-20)15-25(23)34-29(24)31-32(33,28(21)30(26)39-31)12-13-35(27)17-19-6-7-19/h1-5,8-11,15,19,27,31,34,36-37H,6-7,12-14,16-18H2/t27-,31?,32+,33-/m1/s1
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201n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from morphine-sensitive Opioid receptor delta 1 (presence of 300 nM DELT-II) of rat brain membranes


J Med Chem 41: 2872-81 (1998)


Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50065852
PNG
(8-benzyloxy-22-cyclopropylmethyl-14-oxa-11,22-diaz...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cc(OCc4ccccc4)ccc2c1C[C@@]35O
Show InChI InChI=1S/C33H32N2O4/c36-26-11-8-21-14-27-33(37)16-24-23-10-9-22(38-18-20-4-2-1-3-5-20)15-25(23)34-29(24)31-32(33,28(21)30(26)39-31)12-13-35(27)17-19-6-7-19/h1-5,8-11,15,19,27,31,34,36-37H,6-7,12-14,16-18H2/t27-,31?,32+,33-/m1/s1
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461n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OXY from Opioid receptor kappa 2b of guinea pig brain membranes (pretreated with BIT(mu) and FIT(delta) and in the presence of ...


J Med Chem 41: 2872-81 (1998)


Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50065852
PNG
(8-benzyloxy-22-cyclopropylmethyl-14-oxa-11,22-diaz...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cc(OCc4ccccc4)ccc2c1C[C@@]35O
Show InChI InChI=1S/C33H32N2O4/c36-26-11-8-21-14-27-33(37)16-24-23-10-9-22(38-18-20-4-2-1-3-5-20)15-25(23)34-29(24)31-32(33,28(21)30(26)39-31)12-13-35(27)17-19-6-7-19/h1-5,8-11,15,19,27,31,34,36-37H,6-7,12-14,16-18H2/t27-,31?,32+,33-/m1/s1
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470n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain membranes (pretreated with BIT and FIT to block mu and delta sites)


J Med Chem 41: 2872-81 (1998)


Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50065852
PNG
(8-benzyloxy-22-cyclopropylmethyl-14-oxa-11,22-diaz...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cc(OCc4ccccc4)ccc2c1C[C@@]35O
Show InChI InChI=1S/C33H32N2O4/c36-26-11-8-21-14-27-33(37)16-24-23-10-9-22(38-18-20-4-2-1-3-5-20)15-25(23)34-29(24)31-32(33,28(21)30(26)39-31)12-13-35(27)17-19-6-7-19/h1-5,8-11,15,19,27,31,34,36-37H,6-7,12-14,16-18H2/t27-,31?,32+,33-/m1/s1
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676n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Opioid receptor mu 1 of rat brain membranes


J Med Chem 41: 2872-81 (1998)


Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN
More data for this
Ligand-Target Pair