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PubMed code 7731019

Compile data set for download or QSAR
Found 16 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


(Homo sapiens (Human))		BDBM50034407
PNG
(1N-{3-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(NC(=O)CBr)c1 |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C35H34BrN3O4/c36-17-29(41)37-23-5-3-4-21(14-23)19-39-26-7-2-1-6-24(26)25-16-35(42)28-15-22-10-11-27(40)32-30(22)34(35,33(43-32)31(25)39)12-13-38(28)18-20-8-9-20/h1-7,10-11,14,20,28,33,40,42H,8-9,12-13,15-19H2,(H,37,41)/t28?,33-,34?,35+/m0/s1
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 0.0190n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against delta1 opioid receptor using [3H]-DPDPE as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50034407
PNG
(1N-{3-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(NC(=O)CBr)c1 |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C35H34BrN3O4/c36-17-29(41)37-23-5-3-4-21(14-23)19-39-26-7-2-1-6-24(26)25-16-35(42)28-15-22-10-11-27(40)32-30(22)34(35,33(43-32)31(25)39)12-13-38(28)18-20-8-9-20/h1-7,10-11,14,20,28,33,40,42H,8-9,12-13,15-19H2,(H,37,41)/t28?,33-,34?,35+/m0/s1
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 0.0380n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against delta2 opioid receptor using [3H]-DSLET as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50034405
PNG
(22-cyclopropylmethyl-11-(2-isothiocyanatobenzyl)-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccccc1N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C34H31N3O3S/c38-27-12-11-21-15-28-34(39)16-24-23-6-2-4-8-26(23)37(18-22-5-1-3-7-25(22)35-19-41)30(24)32-33(34,29(21)31(27)40-32)13-14-36(28)17-20-9-10-20/h1-8,11-12,20,28,32,38-39H,9-10,13-18H2/t28?,32-,33?,34+/m0/s1
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 2n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against delta1 opioid receptor using [3H]-DPDPE as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50034405
PNG
(22-cyclopropylmethyl-11-(2-isothiocyanatobenzyl)-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccccc1N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C34H31N3O3S/c38-27-12-11-21-15-28-34(39)16-24-23-6-2-4-8-26(23)37(18-22-5-1-3-7-25(22)35-19-41)30(24)32-33(34,29(21)31(27)40-32)13-14-36(28)17-20-9-10-20/h1-8,11-12,20,28,32,38-39H,9-10,13-18H2/t28?,32-,33?,34+/m0/s1
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 3.60n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against delta2 opioid receptor using [3H]-DSLET as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50034408
PNG
(22-cyclopropylmethyl-11-(3-isothiocyanatobenzyl)-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(c1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C34H31N3O3S/c38-27-11-10-22-15-28-34(39)16-25-24-6-1-2-7-26(24)37(18-21-4-3-5-23(14-21)35-19-41)30(25)32-33(34,29(22)31(27)40-32)12-13-36(28)17-20-8-9-20/h1-7,10-11,14,20,28,32,38-39H,8-9,12-13,15-18H2/t28?,32-,33?,34+/m0/s1
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 4.20n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against delta1 opioid receptor using [3H]-DPDPE as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50034406
PNG
(22-cyclopropylmethyl-11-(4-isothiocyanatobenzyl)-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccc(cc1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C34H31N3O3S/c38-27-12-9-22-15-28-34(39)16-25-24-3-1-2-4-26(24)37(18-21-7-10-23(11-8-21)35-19-41)30(25)32-33(34,29(22)31(27)40-32)13-14-36(28)17-20-5-6-20/h1-4,7-12,20,28,32,38-39H,5-6,13-18H2/t28?,32-,33?,34+/m0/s1
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 5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against delta2 opioid receptor using [3H]-DSLET as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50034406
PNG
(22-cyclopropylmethyl-11-(4-isothiocyanatobenzyl)-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccc(cc1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C34H31N3O3S/c38-27-12-9-22-15-28-34(39)16-25-24-3-1-2-4-26(24)37(18-21-7-10-23(11-8-21)35-19-41)30(25)32-33(34,29(22)31(27)40-32)13-14-36(28)17-20-5-6-20/h1-4,7-12,20,28,32,38-39H,5-6,13-18H2/t28?,32-,33?,34+/m0/s1
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 5.30n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against delta1 opioid receptor using [3H]-DPDPE as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50034408
PNG
(22-cyclopropylmethyl-11-(3-isothiocyanatobenzyl)-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(c1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C34H31N3O3S/c38-27-11-10-22-15-28-34(39)16-25-24-6-1-2-7-26(24)37(18-21-4-3-5-23(14-21)35-19-41)30(25)32-33(34,29(22)31(27)40-32)12-13-36(28)17-20-8-9-20/h1-7,10-11,14,20,28,32,38-39H,8-9,12-13,15-18H2/t28?,32-,33?,34+/m0/s1
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 7n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against delta2 opioid receptor using [3H]-DSLET as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50034407
PNG
(1N-{3-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(NC(=O)CBr)c1 |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C35H34BrN3O4/c36-17-29(41)37-23-5-3-4-21(14-23)19-39-26-7-2-1-6-24(26)25-16-35(42)28-15-22-10-11-27(40)32-30(22)34(35,33(43-32)31(25)39)12-13-38(28)18-20-8-9-20/h1-7,10-11,14,20,28,33,40,42H,8-9,12-13,15-19H2,(H,37,41)/t28?,33-,34?,35+/m0/s1
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 8.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against Opioid receptor kappa 1 using [3H]-U-69,593 as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50034407
PNG
(1N-{3-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(NC(=O)CBr)c1 |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C35H34BrN3O4/c36-17-29(41)37-23-5-3-4-21(14-23)19-39-26-7-2-1-6-24(26)25-16-35(42)28-15-22-10-11-27(40)32-30(22)34(35,33(43-32)31(25)39)12-13-38(28)18-20-8-9-20/h1-7,10-11,14,20,28,33,40,42H,8-9,12-13,15-19H2,(H,37,41)/t28?,33-,34?,35+/m0/s1
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 15n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against mu opioid receptor using [3H]-DAMGO as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50034408
PNG
(22-cyclopropylmethyl-11-(3-isothiocyanatobenzyl)-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(c1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C34H31N3O3S/c38-27-11-10-22-15-28-34(39)16-25-24-6-1-2-7-26(24)37(18-21-4-3-5-23(14-21)35-19-41)30(25)32-33(34,29(22)31(27)40-32)12-13-36(28)17-20-8-9-20/h1-7,10-11,14,20,28,32,38-39H,8-9,12-13,15-18H2/t28?,32-,33?,34+/m0/s1
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 66n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against mu opioid receptor using [3H]-DAMGO as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50034408
PNG
(22-cyclopropylmethyl-11-(3-isothiocyanatobenzyl)-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1cccc(c1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C34H31N3O3S/c38-27-11-10-22-15-28-34(39)16-25-24-6-1-2-7-26(24)37(18-21-4-3-5-23(14-21)35-19-41)30(25)32-33(34,29(22)31(27)40-32)12-13-36(28)17-20-8-9-20/h1-7,10-11,14,20,28,32,38-39H,8-9,12-13,15-18H2/t28?,32-,33?,34+/m0/s1
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 104n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against Opioid receptor kappa 1 using [3H]-U-69,593 as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50034405
PNG
(22-cyclopropylmethyl-11-(2-isothiocyanatobenzyl)-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccccc1N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C34H31N3O3S/c38-27-12-11-21-15-28-34(39)16-24-23-6-2-4-8-26(23)37(18-22-5-1-3-7-25(22)35-19-41)30(24)32-33(34,29(21)31(27)40-32)13-14-36(28)17-20-9-10-20/h1-8,11-12,20,28,32,38-39H,9-10,13-18H2/t28?,32-,33?,34+/m0/s1
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 151n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against mu opioid receptor using [3H]-DAMGO as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50034406
PNG
(22-cyclopropylmethyl-11-(4-isothiocyanatobenzyl)-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccc(cc1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C34H31N3O3S/c38-27-12-9-22-15-28-34(39)16-25-24-3-1-2-4-26(24)37(18-21-7-10-23(11-8-21)35-19-41)30(25)32-33(34,29(22)31(27)40-32)13-14-36(28)17-20-5-6-20/h1-4,7-12,20,28,32,38-39H,5-6,13-18H2/t28?,32-,33?,34+/m0/s1
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 245n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against Opioid receptor kappa 1 using [3H]-U-69,593 as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50034406
PNG
(22-cyclopropylmethyl-11-(4-isothiocyanatobenzyl)-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccc(cc1)N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C34H31N3O3S/c38-27-12-9-22-15-28-34(39)16-25-24-3-1-2-4-26(24)37(18-21-7-10-23(11-8-21)35-19-41)30(25)32-33(34,29(22)31(27)40-32)13-14-36(28)17-20-5-6-20/h1-4,7-12,20,28,32,38-39H,5-6,13-18H2/t28?,32-,33?,34+/m0/s1
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 289n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against mu opioid receptor using [3H]-DAMGO as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50034405
PNG
(22-cyclopropylmethyl-11-(2-isothiocyanatobenzyl)-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccccc1N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12|
Show InChI InChI=1S/C34H31N3O3S/c38-27-12-11-21-15-28-34(39)16-24-23-6-2-4-8-26(23)37(18-22-5-1-3-7-25(22)35-19-41)30(24)32-33(34,29(21)31(27)40-32)13-14-36(28)17-20-9-10-20/h1-8,11-12,20,28,32,38-39H,9-10,13-18H2/t28?,32-,33?,34+/m0/s1
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PubMed
 615n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding affinity against Opioid receptor kappa 1 using [3H]-U-69,593 as a radioligand in the guinea pig brain membranes.

J Med Chem 38: 1337-43 (1995)


BindingDB Entry DOI: 10.7270/Q2416W3K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%