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PubMed code 3023609

Compile data set for download or QSAR
Found 14 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 receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225931
PNG
(CHEMBL3038191)
Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](NC(=O)\C=C\C(=O)OC)[C@]4(OC)C=C1)ccc5O
Show InChI InChI=1S/C27H32N2O6/c1-4-12-29-13-11-26-22-16-5-6-17(30)23(22)35-24(26)27(34-3)10-9-25(26,19(29)14-16)15-18(27)28-20(31)7-8-21(32)33-2/h5-10,18-19,24,30H,4,11-15H2,1-3H3,(H,28,31)/b8-7+/t18-,19+,24+,25+,26-,27+/m0/s1
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n/an/an/an/a 180n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane


J Med Chem 29: 2136-41 (1986)


Article DOI: 10.1021/jm00161a002
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225934
PNG
(CHEMBL2310922)
Show SMILES OC(=O)C(O)=O.CCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](N)C4(OC)C=C1)ccc5O
Show InChI InChI=1S/C22H28N2O3.C2H2O4/c1-3-9-24-10-8-21-17-13-4-5-14(25)18(17)27-19(21)22(26-2)7-6-20(21,12-15(22)23)16(24)11-13;3-1(4)2(5)6/h4-7,15-16,19,25H,3,8-12,23H2,1-2H3;(H,3,4)(H,5,6)/t15-,16+,19+,20+,21-,22?;/m0./s1
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n/an/an/an/a 100n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane


J Med Chem 29: 2136-41 (1986)


Article DOI: 10.1021/jm00161a002
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225937
PNG
(CHEMBL3038189)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1N)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C23H28N2O3/c1-27-23-7-6-21(11-16(23)24)17-10-14-4-5-15(26)19-18(14)22(21,20(23)28-19)8-9-25(17)12-13-2-3-13/h4-7,13,16-17,20,26H,2-3,8-12,24H2,1H3/t16-,17+,20+,21+,22-,23+/m0/s1
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n/an/an/an/a 6n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane


J Med Chem 29: 2136-41 (1986)


Article DOI: 10.1021/jm00161a002
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225941
PNG
(CHEMBL2310920)
Show SMILES OC(=O)C(O)=O.CCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](N=S)C4(OC)C=C1)ccc5O
Show InChI InChI=1S/C22H26N2O3S.C2H2O4/c1-3-9-24-10-8-21-17-13-4-5-14(25)18(17)27-19(21)22(26-2)7-6-20(21,16(24)11-13)12-15(22)23-28;3-1(4)2(5)6/h4-7,15-16,19,25H,3,8-12H2,1-2H3;(H,3,4)(H,5,6)/t15-,16+,19+,20+,21-,22?;/m0./s1
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n/an/an/an/a 130n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane


J Med Chem 29: 2136-41 (1986)


Article DOI: 10.1021/jm00161a002
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225936
PNG
(CHEMBL3038190)
Show SMILES CO[C@]12C=C[C@@]3(C[C@@H]1NC(=O)CBr)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C25H29BrN2O4/c1-31-25-7-6-23(11-17(25)27-19(30)12-26)18-10-15-4-5-16(29)21-20(15)24(23,22(25)32-21)8-9-28(18)13-14-2-3-14/h4-7,14,17-18,22,29H,2-3,8-13H2,1H3,(H,27,30)/t17-,18+,22+,23+,24-,25+/m0/s1
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n/an/an/an/a 7n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane


J Med Chem 29: 2136-41 (1986)


Article DOI: 10.1021/jm00161a002
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50367061
PNG
(NALORPHINE | NALORPHINE HYDROCHLORIDE)
Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane


J Med Chem 29: 2136-41 (1986)


Article DOI: 10.1021/jm00161a002
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225932
PNG
(CHEMBL2310918)
Show SMILES OC(=O)C(O)=O.COC12C=C[C@@]3(C[C@@H]1NC(=O)CBr)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC=C)c45
Show InChI InChI=1S/C24H27BrN2O4.C2H2O4/c1-3-9-27-10-8-23-19-14-4-5-15(28)20(19)31-21(23)24(30-2)7-6-22(23,17(27)11-14)12-16(24)26-18(29)13-25;3-1(4)2(5)6/h3-7,16-17,21,28H,1,8-13H2,2H3,(H,26,29);(H,3,4)(H,5,6)/t16-,17+,21+,22+,23-,24?;/m0./s1
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n/an/an/an/a 90n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane


J Med Chem 29: 2136-41 (1986)


Article DOI: 10.1021/jm00161a002
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225939
PNG
(CHEMBL3038192)
Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H](NC(=O)CBr)[C@]4(OC)C=C1)ccc5O
Show InChI InChI=1S/C24H29BrN2O4/c1-3-9-27-10-8-23-19-14-4-5-15(28)20(19)31-21(23)24(30-2)7-6-22(23,17(27)11-14)12-16(24)26-18(29)13-25/h4-7,16-17,21,28H,3,8-13H2,1-2H3,(H,26,29)/t16-,17+,21+,22+,23-,24+/m0/s1
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n/an/an/an/a 130n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane


J Med Chem 29: 2136-41 (1986)


Article DOI: 10.1021/jm00161a002
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225940
PNG
(CHEMBL2310917)
Show SMILES OC(=O)C(O)=O.COC12C=C[C@@]3(C[C@@H]1N)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC=C)c45
Show InChI InChI=1S/C22H26N2O3.C2H2O4/c1-3-9-24-10-8-21-17-13-4-5-14(25)18(17)27-19(21)22(26-2)7-6-20(21,12-15(22)23)16(24)11-13;3-1(4)2(5)6/h3-7,15-16,19,25H,1,8-12,23H2,2H3;(H,3,4)(H,5,6)/t15-,16+,19+,20+,21-,22?;/m0./s1
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n/an/an/an/a 50n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane


J Med Chem 29: 2136-41 (1986)


Article DOI: 10.1021/jm00161a002
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane


J Med Chem 29: 2136-41 (1986)


Article DOI: 10.1021/jm00161a002
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225933
PNG
(CHEMBL2310921)
Show SMILES OC(=O)C(O)=O.COC(=O)\C=C\C(=O)N[C@H]1C[C@]23C=CC1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O
Show InChI InChI=1S/C28H32N2O6.C2H2O4/c1-34-22(33)8-7-21(32)29-19-14-26-9-10-28(19,35-2)25-27(26)11-12-30(15-16-3-4-16)20(26)13-17-5-6-18(31)24(36-25)23(17)27;3-1(4)2(5)6/h5-10,16,19-20,25,31H,3-4,11-15H2,1-2H3,(H,29,32);(H,3,4)(H,5,6)/b8-7+;/t19-,20+,25+,26+,27-,28?;/m0./s1
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n/an/an/an/a 6n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane


J Med Chem 29: 2136-41 (1986)


Article DOI: 10.1021/jm00161a002
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225935
PNG
(CHEMBL2310915)
Show SMILES OC(=O)C(O)=O.COC12C=C[C@@]3(C[C@@H]1N=S)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C23H26N2O3S.C2H2O4/c1-27-23-7-6-21(11-16(23)24-29)17-10-14-4-5-15(26)19-18(14)22(21,20(23)28-19)8-9-25(17)12-13-2-3-13;3-1(4)2(5)6/h4-7,13,16-17,20,26H,2-3,8-12H2,1H3;(H,3,4)(H,5,6)/t16-,17+,20+,21+,22-,23?;/m0./s1
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n/an/an/an/a 7n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane


J Med Chem 29: 2136-41 (1986)


Article DOI: 10.1021/jm00161a002
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225942
PNG
(CHEMBL2310916)
Show SMILES OC(=O)C(O)=O.COC(=O)\C=C\C(=O)N[C@H]1C[C@]23C=CC1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC=C)CC[C@@]315)ccc4O
Show InChI InChI=1S/C27H30N2O6.C2H2O4/c1-4-12-29-13-11-26-22-16-5-6-17(30)23(22)35-24(26)27(34-3)10-9-25(26,19(29)14-16)15-18(27)28-20(31)7-8-21(32)33-2;3-1(4)2(5)6/h4-10,18-19,24,30H,1,11-15H2,2-3H3,(H,28,31);(H,3,4)(H,5,6)/b8-7+;/t18-,19+,24+,25+,26-,27?;/m0./s1
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n/an/an/an/a 90n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane


J Med Chem 29: 2136-41 (1986)


Article DOI: 10.1021/jm00161a002
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225938
PNG
(CHEMBL2310919)
Show SMILES OC(=O)C(O)=O.COC12C=C[C@@]3(C[C@@H]1N=S)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC=C)c45
Show InChI InChI=1S/C22H24N2O3S.C2H2O4/c1-3-9-24-10-8-21-17-13-4-5-14(25)18(17)27-19(21)22(26-2)7-6-20(21,16(24)11-13)12-15(22)23-28;3-1(4)2(5)6/h3-7,15-16,19,25H,1,8-12H2,2H3;(H,3,4)(H,5,6)/t15-,16+,19+,20+,21-,22?;/m0./s1
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n/an/an/an/a 100n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane


J Med Chem 29: 2136-41 (1986)


Article DOI: 10.1021/jm00161a002
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%