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PubMed code 1671414

Compile data set for download or QSAR
Found 10 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
Nociceptin/mu opioid receptor


(Rattus norvegicus (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/a 1.60n/an/an/an/an/an/a



Istituto Superiore di Sanità

Curated by ChEMBL


Assay Description
Opioid receptor activity in terms of inhibition of [3H]-dihydromorphine binding in rat brain membrane

Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 4.24n/an/an/an/an/an/a



Istituto Superiore di Sanità

Curated by ChEMBL


Assay Description
Neuroleptic activity in terms of [3H]-spiroperidol binding in rat striatal membraneto Dopamine receptor D2

Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))		BDBM50007421
PNG
(CHEMBL59245 | Propionic acid 1-[4-(4-fluoro-phenyl...)
Show SMILES CCC(=O)O[C@]1(CCN(CCCC(=O)c2ccc(F)cc2)CC1C)c1ccccc1
Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19?,25-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Istituto Superiore di Sanità

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]-dihydromorphine binding to opioid receptor mu in rat brain membrane.

Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))		BDBM50007421
PNG
(CHEMBL59245 | Propionic acid 1-[4-(4-fluoro-phenyl...)
Show SMILES CCC(=O)O[C@]1(CCN(CCCC(=O)c2ccc(F)cc2)CC1C)c1ccccc1
Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19?,25-/m0/s1
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n/an/a 9.5n/an/an/an/an/an/a



Istituto Superiore di Sanità

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]-dihydromorphine binding to Opioid receptor mu 1 in rat brain membrane.

Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50007421
PNG
(CHEMBL59245 | Propionic acid 1-[4-(4-fluoro-phenyl...)
Show SMILES CCC(=O)O[C@]1(CCN(CCCC(=O)c2ccc(F)cc2)CC1C)c1ccccc1
Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19?,25-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Istituto Superiore di Sanità

Curated by ChEMBL


Assay Description
Neuroleptic activity in terms of [3H]-spiroperidol binding to dopamine receptor D2 in rat striatal membrane.

Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50007421
PNG
(CHEMBL59245 | Propionic acid 1-[4-(4-fluoro-phenyl...)
Show SMILES CCC(=O)O[C@]1(CCN(CCCC(=O)c2ccc(F)cc2)CC1C)c1ccccc1
Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19?,25-/m0/s1
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n/an/a 53.8n/an/an/an/an/an/a



Istituto Superiore di Sanità

Curated by ChEMBL


Assay Description
Neuroleptic activity in terms of [3H]-spiroperidol binding to Dopamine receptor D2 in rat striatal membrane.

Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50007420
PNG
(CHEMBL418289 | Propionic acid 1-[4-(4-fluoro-pheny...)
Show SMILES CCC(=O)O[C@@]1(CCN(CCCC(=O)c2ccc(F)cc2)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19-,25-/m1/s1
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n/an/a 147n/an/an/an/an/an/a



Istituto Superiore di Sanità

Curated by ChEMBL


Assay Description
Neuroleptic activity in terms of [3H]-spiroperidol binding to Dopamine receptor D2 in rat striatal membrane.

Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 302n/an/an/an/an/an/a



Istituto Superiore di Sanità

Curated by ChEMBL


Assay Description
Neuroleptic activity in terms of [3H]-spiroperidol binding in rat striatal membrane to Dopamine receptor D2

Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))		BDBM50007420
PNG
(CHEMBL418289 | Propionic acid 1-[4-(4-fluoro-pheny...)
Show SMILES CCC(=O)O[C@@]1(CCN(CCCC(=O)c2ccc(F)cc2)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3/t19-,25-/m1/s1
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n/an/a 1.79E+3n/an/an/an/an/an/a



Istituto Superiore di Sanità

Curated by ChEMBL


Assay Description
Opioid activity in terms of inhibition of [3H]-dihydromorphine binding to Opioid receptor mu 1 in rat brain membrane.

Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/a 3.05E+3n/an/an/an/an/an/a



Istituto Superiore di Sanità

Curated by ChEMBL


Assay Description
Neuroleptic activity in terms of [3H]-spiroperidol binding in rat striatal membrane to Dopamine receptor D2

Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%