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PubMed code 11294383

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
D(2) dopamine 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 |r|
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 220n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibitition of binding of [3H]-spiroperidol to Dopamine receptor D2 in rat striatal membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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 |r|
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 430n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibitition of binding of [3H]-SCH-23,390 to Dopamine receptor D1 in rat striatal membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(1A) dopamine receptor


(RAT)		BDBM50098074
PNG
(1-Benzyl-6-methoxy-1,2,3,4,4a,5,10,10a-octahydro-b...)
Show SMILES COc1cccc2CC3C(CCCN3Cc3ccccc3)Cc12
Show InChI InChI=1S/C21H25NO/c1-23-21-11-5-9-17-14-20-18(13-19(17)21)10-6-12-22(20)15-16-7-3-2-4-8-16/h2-5,7-9,11,18,20H,6,10,12-15H2,1H3
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n/an/a 450n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibitition of binding of [3H]-SCH-23,390 to Dopamine receptor D1 in rat striatal membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50028970
PNG
(6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2-diol | ...)
Show SMILES NC1CCc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C10H13NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1,4,7,12-13H,2-3,5,11H2
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n/an/a 700n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibitition of binding of [3H]-spiroperidol to Dopamine receptor D2 in rat striatal membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50098073
PNG
(1-Benzyl-1,2,3,4,4a,5,10,10a-octahydro-benzo[g]qui...)
Show SMILES C(N1CCCC2Cc3ccccc3CC12)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-2-7-16(8-3-1)15-21-12-6-11-19-13-17-9-4-5-10-18(17)14-20(19)21/h1-5,7-10,19-20H,6,11-15H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibitition of binding of [3H]-SCH-23,390 to Dopamine receptor D1 in rat striatal membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50219332
PNG
(CHEMBL133432)
Show SMILES COc1cccc2CC3NCCCC3Cc12
Show InChI InChI=1S/C14H19NO/c1-16-14-6-2-4-10-9-13-11(8-12(10)14)5-3-7-15-13/h2,4,6,11,13,15H,3,5,7-9H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]prazosin to Alpha-1 adrenergic receptor in rat cortical membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50098073
PNG
(1-Benzyl-1,2,3,4,4a,5,10,10a-octahydro-benzo[g]qui...)
Show SMILES C(N1CCCC2Cc3ccccc3CC12)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-2-7-16(8-3-1)15-21-12-6-11-19-13-17-9-4-5-10-18(17)14-20(19)21/h1-5,7-10,19-20H,6,11-15H2
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]rauwolscine to Alpha-2 adrenergic receptor in rat cortical membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50098073
PNG
(1-Benzyl-1,2,3,4,4a,5,10,10a-octahydro-benzo[g]qui...)
Show SMILES C(N1CCCC2Cc3ccccc3CC12)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-2-7-16(8-3-1)15-21-12-6-11-19-13-17-9-4-5-10-18(17)14-20(19)21/h1-5,7-10,19-20H,6,11-15H2
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]rauwolscine to Alpha-2 adrenergic receptor in rat cortical membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50098074
PNG
(1-Benzyl-6-methoxy-1,2,3,4,4a,5,10,10a-octahydro-b...)
Show SMILES COc1cccc2CC3C(CCCN3Cc3ccccc3)Cc12
Show InChI InChI=1S/C21H25NO/c1-23-21-11-5-9-17-14-20-18(13-19(17)21)10-6-12-22(20)15-16-7-3-2-4-8-16/h2-5,7-9,11,18,20H,6,10,12-15H2,1H3
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]rauwolscine to Alpha-2 adrenergic receptor in rat cortical membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50098074
PNG
(1-Benzyl-6-methoxy-1,2,3,4,4a,5,10,10a-octahydro-b...)
Show SMILES COc1cccc2CC3C(CCCN3Cc3ccccc3)Cc12
Show InChI InChI=1S/C21H25NO/c1-23-21-11-5-9-17-14-20-18(13-19(17)21)10-6-12-22(20)15-16-7-3-2-4-8-16/h2-5,7-9,11,18,20H,6,10,12-15H2,1H3
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]rauwolscine to Alpha-2 adrenergic receptor in rat cortical membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50219332
PNG
(CHEMBL133432)
Show SMILES COc1cccc2CC3NCCCC3Cc12
Show InChI InChI=1S/C14H19NO/c1-16-14-6-2-4-10-9-13-11(8-12(10)14)5-3-7-15-13/h2,4,6,11,13,15H,3,5,7-9H2,1H3
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n/an/a 6.75E+4n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]rauwolscine to Alpha-2 adrenergic receptor in rat cortical membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50219331
PNG
(1,2,3,4,4A,5,10,10A-Octahydro-Benzo[G]Quinoline | ...)
Show SMILES C1CNC2Cc3ccccc3CC2C1
Show InChI InChI=1S/C13H17N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-2,4-5,12-14H,3,6-9H2
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n/an/a 1.30E+5n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]rauwolscine to Alpha-2 adrenergic receptor in rat cortical membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50098073
PNG
(1-Benzyl-1,2,3,4,4a,5,10,10a-octahydro-benzo[g]qui...)
Show SMILES C(N1CCCC2Cc3ccccc3CC12)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-2-7-16(8-3-1)15-21-12-6-11-19-13-17-9-4-5-10-18(17)14-20(19)21/h1-5,7-10,19-20H,6,11-15H2
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n/an/a 2.18E+5n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]prazosin to Alpha-1 adrenergic receptor in rat cortical membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50098073
PNG
(1-Benzyl-1,2,3,4,4a,5,10,10a-octahydro-benzo[g]qui...)
Show SMILES C(N1CCCC2Cc3ccccc3CC12)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-2-7-16(8-3-1)15-21-12-6-11-19-13-17-9-4-5-10-18(17)14-20(19)21/h1-5,7-10,19-20H,6,11-15H2
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n/an/a 2.18E+5n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]prazosin to Alpha-1 adrenergic receptor in rat cortical membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50098074
PNG
(1-Benzyl-6-methoxy-1,2,3,4,4a,5,10,10a-octahydro-b...)
Show SMILES COc1cccc2CC3C(CCCN3Cc3ccccc3)Cc12
Show InChI InChI=1S/C21H25NO/c1-23-21-11-5-9-17-14-20-18(13-19(17)21)10-6-12-22(20)15-16-7-3-2-4-8-16/h2-5,7-9,11,18,20H,6,10,12-15H2,1H3
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n/an/a 6.67E+5n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]prazosin to Alpha-1 adrenergic receptor in rat cortical membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50098074
PNG
(1-Benzyl-6-methoxy-1,2,3,4,4a,5,10,10a-octahydro-b...)
Show SMILES COc1cccc2CC3C(CCCN3Cc3ccccc3)Cc12
Show InChI InChI=1S/C21H25NO/c1-23-21-11-5-9-17-14-20-18(13-19(17)21)10-6-12-22(20)15-16-7-3-2-4-8-16/h2-5,7-9,11,18,20H,6,10,12-15H2,1H3
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n/an/a 6.67E+5n/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]prazosin to Alpha-1 adrenergic receptor in rat cortical membranes

Bioorg Med Chem Lett 11: 883-6 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10XM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%