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Articleid 50034900

Compile data set for download or QSAR
Found 17 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
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
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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 0.0900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]DIDI as radioligand

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
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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 0.330n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]naltrindole as radioligand

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50290387
PNG
(22-cyclopropylmethyl-2-ethoxy-13-methyl-14-oxa-11,...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |r,THB:30:19:3:22.28.27,17:18:3:22.28.27|
Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28-,29+/m0/s1
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 0.780n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]naltrindole as radioligand

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50121334
PNG
(2-ethoxy-13,22-dimethyl-(2S,13R)-14-oxa-11,22-diaz...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:17:18:3:22.25.24,23:22:3:18.19.20,THB:2:3:18.19.20:22.25.24|
Show InChI InChI=1S/C26H28N2O3/c1-4-30-26-14-17-16-7-5-6-8-18(16)27-23(17)24(2)25(26)11-12-28(3)20(26)13-15-9-10-19(29)22(31-24)21(15)25/h5-10,20,27,29H,4,11-14H2,1-3H3/t20?,24-,25?,26+/m0/s1
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 8.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the platelet-derived growth factor receptor.

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50121334
PNG
(2-ethoxy-13,22-dimethyl-(2S,13R)-14-oxa-11,22-diaz...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:17:18:3:22.25.24,23:22:3:18.19.20,THB:2:3:18.19.20:22.25.24|
Show InChI InChI=1S/C26H28N2O3/c1-4-30-26-14-17-16-7-5-6-8-18(16)27-23(17)24(2)25(26)11-12-28(3)20(26)13-15-9-10-19(29)22(31-24)21(15)25/h5-10,20,27,29H,4,11-14H2,1-3H3/t20?,24-,25?,26+/m0/s1
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 8.81n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]DIDI as radioligand

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50290388
PNG
(22-allyl-2-ethoxy-13-methyl-14-oxa-11,22-diazahept...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC=C)CC[C@@]235)ccc4O |THB:29:19:3:22.27.26,17:18:3:22.27.26|
Show InChI InChI=1S/C28H30N2O3/c1-4-13-30-14-12-27-23-17-10-11-21(31)24(23)33-26(27,3)25-19(18-8-6-7-9-20(18)29-25)16-28(27,32-5-2)22(30)15-17/h4,6-11,22,29,31H,1,5,12-16H2,2-3H3/t22?,26-,27-,28+/m0/s1
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 11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]naltrindole as radioligand

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
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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 14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor kappa 1 in rat brain homogenates using [3H]CI977 as radioligand

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50290387
PNG
(22-cyclopropylmethyl-2-ethoxy-13-methyl-14-oxa-11,...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |r,THB:30:19:3:22.28.27,17:18:3:22.28.27|
Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28-,29+/m0/s1
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 14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the platelet-derived growth factor receptor.

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50290388
PNG
(22-allyl-2-ethoxy-13-methyl-14-oxa-11,22-diazahept...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC=C)CC[C@@]235)ccc4O |THB:29:19:3:22.27.26,17:18:3:22.27.26|
Show InChI InChI=1S/C28H30N2O3/c1-4-13-30-14-12-27-23-17-10-11-21(31)24(23)33-26(27,3)25-19(18-8-6-7-9-20(18)29-25)16-28(27,32-5-2)22(30)15-17/h4,6-11,22,29,31H,1,5,12-16H2,2-3H3/t22?,26-,27-,28+/m0/s1
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 30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the platelet-derived growth factor receptor.

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
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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 30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards mu opioid receptor in rat brain homogenates using [3H]DAMGO as radioligand

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50290387
PNG
(22-cyclopropylmethyl-2-ethoxy-13-methyl-14-oxa-11,...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |r,THB:30:19:3:22.28.27,17:18:3:22.28.27|
Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28-,29+/m0/s1
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 39n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards mu opioid receptor in rat brain homogenates using [3H]DAMGO as radioligand

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50290387
PNG
(22-cyclopropylmethyl-2-ethoxy-13-methyl-14-oxa-11,...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |r,THB:30:19:3:22.28.27,17:18:3:22.28.27|
Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28-,29+/m0/s1
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 59n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor kappa 1 in rat brain homogenates using [3H]U-69593 as radioligand

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50121334
PNG
(2-ethoxy-13,22-dimethyl-(2S,13R)-14-oxa-11,22-diaz...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:17:18:3:22.25.24,23:22:3:18.19.20,THB:2:3:18.19.20:22.25.24|
Show InChI InChI=1S/C26H28N2O3/c1-4-30-26-14-17-16-7-5-6-8-18(16)27-23(17)24(2)25(26)11-12-28(3)20(26)13-15-9-10-19(29)22(31-24)21(15)25/h5-10,20,27,29H,4,11-14H2,1-3H3/t20?,24-,25?,26+/m0/s1
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 286n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor kappa 1 in rat brain homogenates using [3H]U-69593 as radioligand

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50290388
PNG
(22-allyl-2-ethoxy-13-methyl-14-oxa-11,22-diazahept...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC=C)CC[C@@]235)ccc4O |THB:29:19:3:22.27.26,17:18:3:22.27.26|
Show InChI InChI=1S/C28H30N2O3/c1-4-13-30-14-12-27-23-17-10-11-21(31)24(23)33-26(27,3)25-19(18-8-6-7-9-20(18)29-25)16-28(27,32-5-2)22(30)15-17/h4,6-11,22,29,31H,1,5,12-16H2,2-3H3/t22?,26-,27-,28+/m0/s1
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 667n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards mu opioid receptor in rat brain homogenates using [3H]DAMGO as radioligand

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50121334
PNG
(2-ethoxy-13,22-dimethyl-(2S,13R)-14-oxa-11,22-diaz...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:17:18:3:22.25.24,23:22:3:18.19.20,THB:2:3:18.19.20:22.25.24|
Show InChI InChI=1S/C26H28N2O3/c1-4-30-26-14-17-16-7-5-6-8-18(16)27-23(17)24(2)25(26)11-12-28(3)20(26)13-15-9-10-19(29)22(31-24)21(15)25/h5-10,20,27,29H,4,11-14H2,1-3H3/t20?,24-,25?,26+/m0/s1
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 715n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards mu opioid receptor in rat brain homogenates using [3H]DAMGO as radioligand

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50290388
PNG
(22-allyl-2-ethoxy-13-methyl-14-oxa-11,22-diazahept...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC=C)CC[C@@]235)ccc4O |THB:29:19:3:22.27.26,17:18:3:22.27.26|
Show InChI InChI=1S/C28H30N2O3/c1-4-13-30-14-12-27-23-17-10-11-21(31)24(23)33-26(27,3)25-19(18-8-6-7-9-20(18)29-25)16-28(27,32-5-2)22(30)15-17/h4,6-11,22,29,31H,1,5,12-16H2,2-3H3/t22?,26-,27-,28+/m0/s1
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 765n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor kappa 1 in rat brain homogenates using [3H]U-69593 as radioligand

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50121334
PNG
(2-ethoxy-13,22-dimethyl-(2S,13R)-14-oxa-11,22-diaz...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:17:18:3:22.25.24,23:22:3:18.19.20,THB:2:3:18.19.20:22.25.24|
Show InChI InChI=1S/C26H28N2O3/c1-4-30-26-14-17-16-7-5-6-8-18(16)27-23(17)24(2)25(26)11-12-28(3)20(26)13-15-9-10-19(29)22(31-24)21(15)25/h5-10,20,27,29H,4,11-14H2,1-3H3/t20?,24-,25?,26+/m0/s1
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Article
n/an/an/an/a 104n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in 3 determinations for the agonistic activity in the Opioid receptor delta 1 of mouse vas deferens

Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%