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PubMed code 11078198

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]p-CI-DPDPE in C6 glioma cells expressing the cloned Opioid receptor delta 1


Bioorg Med Chem Lett 10: 2449-51 (2001)


Article DOI: 10.1016/s0960-894x(00)00479-0
BindingDB Entry DOI: 10.7270/Q20K2939
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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3.70n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]DAMGO in C6 glioma cells expressing the cloned Opioid receptor mu 1


Bioorg Med Chem Lett 10: 2449-51 (2001)


Article DOI: 10.1016/s0960-894x(00)00479-0
BindingDB Entry DOI: 10.7270/Q20K2939
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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5.80n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]U-69593 in CHO cells expressing the cloned Opioid receptor kappa 1


Bioorg Med Chem Lett 10: 2449-51 (2001)


Article DOI: 10.1016/s0960-894x(00)00479-0
BindingDB Entry DOI: 10.7270/Q20K2939
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50093785
PNG
(CHEMBL80116 | [1,5-3H]-17-Cyclohexylethyl-6,7-dehy...)
Show SMILES Oc1ccc2C[C@H]3N(CCC4CCCCC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C30H34N2O3/c33-23-11-10-19-16-24-30(34)17-21-20-8-4-5-9-22(20)31-26(21)28-29(30,25(19)27(23)35-28)13-15-32(24)14-12-18-6-2-1-3-7-18/h4-5,8-11,18,24,28,31,33-34H,1-3,6-7,12-17H2/t24-,28?,29?,30-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]DAMGO in C6 glioma cells expressing the cloned Opioid receptor mu 1


Bioorg Med Chem Lett 10: 2449-51 (2001)


Article DOI: 10.1016/s0960-894x(00)00479-0
BindingDB Entry DOI: 10.7270/Q20K2939
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50093784
PNG
(CHEMBL79443 | [1,5-3H]-17-Cyclohexylmethyl-6,7-deh...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCCCC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C29H32N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h4-5,8-11,17,23,27,30,32-33H,1-3,6-7,12-16H2/t23-,27?,28?,29-/m1/s1
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95n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]p-CI-DPDPE in C6 glioma cells expressing the cloned Opioid receptor delta 1


Bioorg Med Chem Lett 10: 2449-51 (2001)


Article DOI: 10.1016/s0960-894x(00)00479-0
BindingDB Entry DOI: 10.7270/Q20K2939
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50093783
PNG
(CHEMBL81355 | [1,5-3H]-17-Benzyl-6,7-dehydro-4,5a ...)
Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C29H26N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h1-11,23,27,30,32-33H,12-16H2/t23-,27?,28?,29-/m1/s1
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115n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]p-CI-DPDPE in C6 glioma cells expressing the cloned Opioid receptor delta 1


Bioorg Med Chem Lett 10: 2449-51 (2001)


Article DOI: 10.1016/s0960-894x(00)00479-0
BindingDB Entry DOI: 10.7270/Q20K2939
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50093783
PNG
(CHEMBL81355 | [1,5-3H]-17-Benzyl-6,7-dehydro-4,5a ...)
Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C29H26N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h1-11,23,27,30,32-33H,12-16H2/t23-,27?,28?,29-/m1/s1
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134n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]U-69593 in CHO cells expressing the cloned Opioid receptor kappa 1


Bioorg Med Chem Lett 10: 2449-51 (2001)


Article DOI: 10.1016/s0960-894x(00)00479-0
BindingDB Entry DOI: 10.7270/Q20K2939
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50093785
PNG
(CHEMBL80116 | [1,5-3H]-17-Cyclohexylethyl-6,7-dehy...)
Show SMILES Oc1ccc2C[C@H]3N(CCC4CCCCC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C30H34N2O3/c33-23-11-10-19-16-24-30(34)17-21-20-8-4-5-9-22(20)31-26(21)28-29(30,25(19)27(23)35-28)13-15-32(24)14-12-18-6-2-1-3-7-18/h4-5,8-11,18,24,28,31,33-34H,1-3,6-7,12-17H2/t24-,28?,29?,30-/m1/s1
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181n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]p-CI-DPDPE in C6 glioma cells expressing the cloned Opioid receptor delta 1


Bioorg Med Chem Lett 10: 2449-51 (2001)


Article DOI: 10.1016/s0960-894x(00)00479-0
BindingDB Entry DOI: 10.7270/Q20K2939
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50093785
PNG
(CHEMBL80116 | [1,5-3H]-17-Cyclohexylethyl-6,7-dehy...)
Show SMILES Oc1ccc2C[C@H]3N(CCC4CCCCC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C30H34N2O3/c33-23-11-10-19-16-24-30(34)17-21-20-8-4-5-9-22(20)31-26(21)28-29(30,25(19)27(23)35-28)13-15-32(24)14-12-18-6-2-1-3-7-18/h4-5,8-11,18,24,28,31,33-34H,1-3,6-7,12-17H2/t24-,28?,29?,30-/m1/s1
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378n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]U-69593 in CHO cells expressing the cloned Opioid receptor kappa 1


Bioorg Med Chem Lett 10: 2449-51 (2001)


Article DOI: 10.1016/s0960-894x(00)00479-0
BindingDB Entry DOI: 10.7270/Q20K2939
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50093784
PNG
(CHEMBL79443 | [1,5-3H]-17-Cyclohexylmethyl-6,7-deh...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCCCC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C29H32N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h4-5,8-11,17,23,27,30,32-33H,1-3,6-7,12-16H2/t23-,27?,28?,29-/m1/s1
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1.12E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]U-69593 in CHO cells expressing the cloned Opioid receptor kappa 1


Bioorg Med Chem Lett 10: 2449-51 (2001)


Article DOI: 10.1016/s0960-894x(00)00479-0
BindingDB Entry DOI: 10.7270/Q20K2939
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50093784
PNG
(CHEMBL79443 | [1,5-3H]-17-Cyclohexylmethyl-6,7-deh...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCCCC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C29H32N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h4-5,8-11,17,23,27,30,32-33H,1-3,6-7,12-16H2/t23-,27?,28?,29-/m1/s1
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1.93E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]DAMGO in C6 glioma cells expressing the cloned Opioid receptor mu 1


Bioorg Med Chem Lett 10: 2449-51 (2001)


Article DOI: 10.1016/s0960-894x(00)00479-0
BindingDB Entry DOI: 10.7270/Q20K2939
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50093783
PNG
(CHEMBL81355 | [1,5-3H]-17-Benzyl-6,7-dehydro-4,5a ...)
Show SMILES Oc1ccc2C[C@H]3N(Cc4ccccc4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C29H26N2O3/c32-22-11-10-18-14-23-29(33)15-20-19-8-4-5-9-21(19)30-25(20)27-28(29,24(18)26(22)34-27)12-13-31(23)16-17-6-2-1-3-7-17/h1-11,23,27,30,32-33H,12-16H2/t23-,27?,28?,29-/m1/s1
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5.33E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]DAMGO in C6 glioma cells expressing the cloned Opioid receptor mu 1


Bioorg Med Chem Lett 10: 2449-51 (2001)


Article DOI: 10.1016/s0960-894x(00)00479-0
BindingDB Entry DOI: 10.7270/Q20K2939
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%