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PubMed code 1331455

Compile data set for download or QSAR
Found 9 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))		BDBM50001551
PNG
(22-cyclopropylmethyl-9-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2c(cccc2c1CC35O)N=C=S
Show InChI InChI=1/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-17-16-2-1-3-18(28-13-34)22(16)29-23(17)25-26(27,21(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2
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n/an/an/a 16n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DPDPE binding to Opioid receptor delta 1 at 4 nM concentration expressed as dissociation constant

J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))		BDBM50001553
PNG
(22-cyclopropylmethyl-8-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2cc(ccc2c1CC35O)N=C=S
Show InChI InChI=1/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-5-4-16(28-13-34)10-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2
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n/an/an/a 5.60n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DPDPE binding to Opioid receptor delta 1 at 4 nM concentration expressed as dissociation constant

J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))		BDBM50001554
PNG
(22-cyclopropylmethyl-6-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2cccc(N=C=S)c2c1CC35O
Show InChI InChI=1/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-16-21-17(28-13-34)2-1-3-18(21)29-23(16)25-26(27,22(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2
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n/an/an/a 15n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 4 nM concentration

J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))		BDBM50001551
PNG
(22-cyclopropylmethyl-9-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2c(cccc2c1CC35O)N=C=S
Show InChI InChI=1/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-17-16-2-1-3-18(28-13-34)22(16)29-23(17)25-26(27,21(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2
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n/an/an/a 61n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 4 nM concentration

J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))		BDBM50001552
PNG
(22-cyclopropylmethyl-7-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccc(cc2c1CC35O)N=C=S
Show InChI InChI=1/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-10-16(28-13-34)4-5-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2
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n/an/an/a 5.90n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DPDPE binding to Opioid receptor delta 1 at 4 nM concentration expressed as dissociation constant

J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))		BDBM50001552
PNG
(22-cyclopropylmethyl-7-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccc(cc2c1CC35O)N=C=S
Show InChI InChI=1/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-10-16(28-13-34)4-5-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2
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n/an/an/a 37n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DPDPE binding to Opioid receptor delta 1 at 0.25 nM concentration expressed as dissociation consta...

J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))		BDBM50001554
PNG
(22-cyclopropylmethyl-6-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2cccc(N=C=S)c2c1CC35O
Show InChI InChI=1/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-16-21-17(28-13-34)2-1-3-18(21)29-23(16)25-26(27,22(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2
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n/an/an/a 4.30n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 4 nM concentration

J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))		BDBM50001551
PNG
(22-cyclopropylmethyl-9-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2c(cccc2c1CC35O)N=C=S
Show InChI InChI=1/C27H25N3O3S/c31-19-7-6-15-10-20-27(32)11-17-16-2-1-3-18(28-13-34)22(16)29-23(17)25-26(27,21(15)24(19)33-25)8-9-30(20)12-14-4-5-14/h1-3,6-7,14,20,25,29,31-32H,4-5,8-12H2
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n/an/an/a 2.30n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 4 nM concentration

J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))		BDBM50001553
PNG
(22-cyclopropylmethyl-8-isothiocyanato-14-oxa-11,22...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2cc(ccc2c1CC35O)N=C=S
Show InChI InChI=1/C27H25N3O3S/c31-20-6-3-15-9-21-27(32)11-18-17-5-4-16(28-13-34)10-19(17)29-23(18)25-26(27,22(15)24(20)33-25)7-8-30(21)12-14-1-2-14/h3-6,10,14,21,25,29,31-32H,1-2,7-9,11-12H2
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n/an/an/a 40n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for its effect towards [3H]-DSLET binding to Opioid receptor delta 2 at 0.25 nM concentration

J Med Chem 35: 4086-91 (1992)


Article DOI: 10.1021/jm00100a014
BindingDB Entry DOI: 10.7270/Q27S7MQ7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%