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Compile Data Set for Download or QSAR

Found 835 hits with Last Name = 'jalluri' and Initial = 'rk'   
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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50023453
PNG
((7,8-Dichloro-1,2,3,4-tetrahydro-isoquinolin-3-yl)...)
Show SMILES OCC1Cc2ccc(Cl)c(Cl)c2CN1
Show InChI InChI=1S/C10H11Cl2NO/c11-9-2-1-6-3-7(5-14)13-4-8(6)10(9)12/h1-2,7,13-14H,3-5H2
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150n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072979
PNG
(7-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline ...)
Show SMILES FC(F)(F)c1ccc2CCNCc2c1
Show InChI InChI=1S/C10H10F3N/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2
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180n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyltransferase(PNMT)


J Med Chem 42: 118-34 (1999)


Article DOI: 10.1021/jm980429p
BindingDB Entry DOI: 10.7270/Q2K35VBN
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072977
PNG
(7-Bromo-1,2,3,4-tetrahydro-isoquinoline | 7-bromo-...)
Show SMILES Brc1ccc2CCNCc2c1
Show InChI InChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
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290n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyltransferase(PNMT)


J Med Chem 42: 118-34 (1999)


Article DOI: 10.1021/jm980429p
BindingDB Entry DOI: 10.7270/Q2K35VBN
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50217385
PNG
(CHEMBL145491)
Show SMILES C[C@H]1Cc2sc3ccccc3c2CN1
Show InChI InChI=1S/C12H13NS/c1-8-6-12-10(7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13H,6-7H2,1H3/t8-/m0/s1
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340n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM14060
PNG
(7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...)
Show SMILES Ic1ccc2CCNCc2c1
Show InChI InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
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370n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 42: 118-34 (1999)


Article DOI: 10.1021/jm980429p
BindingDB Entry DOI: 10.7270/Q2K35VBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50023453
PNG
((7,8-Dichloro-1,2,3,4-tetrahydro-isoquinolin-3-yl)...)
Show SMILES OCC1Cc2ccc(Cl)c(Cl)c2CN1
Show InChI InChI=1S/C10H11Cl2NO/c11-9-2-1-6-3-7(5-14)13-4-8(6)10(9)12/h1-2,7,13-14H,3-5H2
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380n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072991
PNG
(7-Nitro-1,2,3,4-tetrahydro-isoquinoline | 7-nitro-...)
Show SMILES [O-][N+](=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2
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410n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 42: 118-34 (1999)


Article DOI: 10.1021/jm980429p
BindingDB Entry DOI: 10.7270/Q2K35VBN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM13014
PNG
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Show SMILES Clc1ccc2CCNCc2c1Cl
Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
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471n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50079902
PNG
(7-Bromo-3-trifluoromethyl-1,2,3,4-tetrahydro-isoqu...)
Show SMILES FC(F)(F)C1Cc2ccc(Br)cc2CN1
Show InChI InChI=1S/C10H9BrF3N/c11-8-2-1-6-4-9(10(12,13)14)15-5-7(6)3-8/h1-3,9,15H,4-5H2
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520n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM13017
PNG
(1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)
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550n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 42: 118-34 (1999)


Article DOI: 10.1021/jm980429p
BindingDB Entry DOI: 10.7270/Q2K35VBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072986
PNG
(7-Methylsulfanyl-1,2,3,4-tetrahydro-isoquinoline |...)
Show SMILES CSc1ccc2CCNCc2c1
Show InChI InChI=1S/C10H13NS/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,4-5,7H2,1H3
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610n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyltransferase(PNMT)


J Med Chem 42: 118-34 (1999)


Article DOI: 10.1021/jm980429p
BindingDB Entry DOI: 10.7270/Q2K35VBN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50061318
PNG
(1,2,3,4-Tetrahydro-benzo[h]isoquinolin-8-ol | 1,2,...)
Show SMILES Oc1ccc2c3CNCCc3ccc2c1
Show InChI InChI=1S/C13H13NO/c15-11-3-4-12-10(7-11)2-1-9-5-6-14-8-13(9)12/h1-4,7,14-15H,5-6,8H2
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825n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50024835
PNG
(5-Methoxy-1,2,3,4-tetrahydro-isoquinoline | CHEMBL...)
Show SMILES COc1cccc2CNCCc12
Show InChI InChI=1S/C10H13NO/c1-12-10-4-2-3-8-7-11-6-5-9(8)10/h2-4,11H,5-7H2,1H3
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1.02E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072979
PNG
(7-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline ...)
Show SMILES FC(F)(F)c1ccc2CCNCc2c1
Show InChI InChI=1S/C10H10F3N/c11-10(12,13)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2
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1.18E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM13014
PNG
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Show SMILES Clc1ccc2CCNCc2c1Cl
Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
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1.24E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50217340
PNG
(CHEMBL423741)
Show SMILES C[C@@H]1Cc2ccc(Cl)c(Cl)c2CN1
Show InChI InChI=1S/C10H11Cl2N/c1-6-4-7-2-3-9(11)10(12)8(7)5-13-6/h2-3,6,13H,4-5H2,1H3/t6-/m1/s1
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1.28E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM14060
PNG
(7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...)
Show SMILES Ic1ccc2CCNCc2c1
Show InChI InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
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1.28E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM13018
PNG
(7-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline |...)
Show SMILES CS(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C10H13NO2S/c1-14(12,13)10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,4-5,7H2,1H3
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1.30E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 42: 118-34 (1999)


Article DOI: 10.1021/jm980429p
BindingDB Entry DOI: 10.7270/Q2K35VBN
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM13021
PNG
(7-(trichloromethane)sulfonyl-1,2,3,4-tetrahydroiso...)
Show SMILES ClC(Cl)(Cl)S(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C10H10Cl3NO2S/c11-10(12,13)17(15,16)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2
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1.30E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyltransferase(PNMT)


J Med Chem 42: 118-34 (1999)


Article DOI: 10.1021/jm980429p
BindingDB Entry DOI: 10.7270/Q2K35VBN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50072977
PNG
(7-Bromo-1,2,3,4-tetrahydro-isoquinoline | 7-bromo-...)
Show SMILES Brc1ccc2CCNCc2c1
Show InChI InChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
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1.31E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50077541
PNG
(((R)-7-Nitro-1,2,3,4-tetrahydro-isoquinolin-3-yl)-...)
Show SMILES OC[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m1/s1
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1.33E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50014651
PNG
(2-Methyl-1,2,3,4-tetrahydro-isoquinoline | 2-Methy...)
Show SMILES CN1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3
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1.33E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50077544
PNG
((S)-3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoli...)
Show SMILES C[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C10H12N2O2/c1-7-4-8-2-3-10(12(13)14)5-9(8)6-11-7/h2-3,5,7,11H,4,6H2,1H3/t7-/m0/s1
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1.36E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM14061
PNG
(8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...)
Show SMILES Clc1ccc2CCCNCc2c1Cl
Show InChI InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2
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1.39E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072989
PNG
(1,2,3,4-Tetrahydro-isoquinoline-7-carbonitrile | 1...)
Show SMILES N#Cc1ccc2CCNCc2c1
Show InChI InChI=1S/C10H10N2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5,12H,3-4,7H2
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1.40E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 42: 118-34 (1999)


Article DOI: 10.1021/jm980429p
BindingDB Entry DOI: 10.7270/Q2K35VBN
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50217384
PNG
(CHEMBL144331)
Show SMILES Brc1ccc2CCCNCc2c1
Show InChI InChI=1S/C10H12BrN/c11-10-4-3-8-2-1-5-12-7-9(8)6-10/h3-4,6,12H,1-2,5,7H2
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1.44E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072977
PNG
(7-Bromo-1,2,3,4-tetrahydro-isoquinoline | 7-bromo-...)
Show SMILES Brc1ccc2CCNCc2c1
Show InChI InChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
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1.46E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50024825
PNG
(8-Methoxy-1,2,3,4-tetrahydro-isoquinoline | CHEMBL...)
Show SMILES COc1cccc2CCNCc12
Show InChI InChI=1S/C10H13NO/c1-12-10-4-2-3-8-5-6-11-7-9(8)10/h2-4,11H,5-7H2,1H3
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1.47E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50217340
PNG
(CHEMBL423741)
Show SMILES C[C@@H]1Cc2ccc(Cl)c(Cl)c2CN1
Show InChI InChI=1S/C10H11Cl2N/c1-6-4-7-2-3-9(11)10(12)8(7)5-13-6/h2-3,6,13H,4-5H2,1H3/t6-/m1/s1
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1.58E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM13016
PNG
(1,2,3,4-tetrahydroisoquinoline | CHEMBL14346 | THI...)
Show SMILES C1Cc2ccccc2CN1
Show InChI InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
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1.58E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM13018
PNG
(7-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline |...)
Show SMILES CS(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C10H13NO2S/c1-14(12,13)10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,4-5,7H2,1H3
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1.60E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50072981
PNG
(7-Methyl-1,2,3,4-tetrahydro-isoquinoline | 7-methy...)
Show SMILES Cc1ccc2CCNCc2c1
Show InChI InChI=1S/C10H13N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-3,6,11H,4-5,7H2,1H3
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1.60E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM14060
PNG
(7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...)
Show SMILES Ic1ccc2CCNCc2c1
Show InChI InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
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1.61E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50217383
PNG
(CHEMBL144444)
Show SMILES [O-][N+](=O)c1ccc2CCCNCc2c1
Show InChI InChI=1S/C10H12N2O2/c13-12(14)10-4-3-8-2-1-5-11-7-9(8)6-10/h3-4,6,11H,1-2,5,7H2
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1.65E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50072986
PNG
(7-Methylsulfanyl-1,2,3,4-tetrahydro-isoquinoline |...)
Show SMILES CSc1ccc2CCNCc2c1
Show InChI InChI=1S/C10H13NS/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,4-5,7H2,1H3
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1.68E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072991
PNG
(7-Nitro-1,2,3,4-tetrahydro-isoquinoline | 7-nitro-...)
Show SMILES [O-][N+](=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2
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1.70E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50217389
PNG
(CHEMBL148215)
Show SMILES C[C@@H]1CCc2ccc(Cl)c(Cl)c2CN1
Show InChI InChI=1S/C11H13Cl2N/c1-7-2-3-8-4-5-10(12)11(13)9(8)6-14-7/h4-5,7,14H,2-3,6H2,1H3/t7-/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50217345
PNG
(CHEMBL145171)
Show SMILES C[C@H]1Cc2ccc(Cl)c(Cl)c2CN1
Show InChI InChI=1S/C10H11Cl2N/c1-6-4-7-2-3-9(11)10(12)8(7)5-13-6/h2-3,6,13H,4-5H2,1H3/t6-/m0/s1
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1.71E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50024840
PNG
(7-Methoxy-1,2,3,4-tetrahydro-isoquinoline | CHEMBL...)
Show SMILES COc1ccc2CCNCc2c1
Show InChI InChI=1S/C10H13NO/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,4-5,7H2,1H3
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1.78E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50024831
PNG
(1,2,3,4-Tetrahydro-isoquinoline-6,7-diol | CHEMBL1...)
Show SMILES Oc1cc2CCNCc2cc1O
Show InChI InChI=1S/C9H11NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-4,10-12H,1-2,5H2
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1.80E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50052884
PNG
((S)-3-Methyl-1,2,3,4-tetrahydro-isoquinoline | CHE...)
Show SMILES C[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,8,11H,6-7H2,1H3/t8-/m0/s1
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1.82E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM13017
PNG
(1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)
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1.91E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50077540
PNG
((R)-1-(1,2,3,4-Tetrahydro-isoquinolin-3-yl)-methan...)
Show SMILES OC[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1
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1.93E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50026782
PNG
(5,8-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline | CH...)
Show SMILES COc1ccc(OC)c2CNCCc12
Show InChI InChI=1S/C11H15NO2/c1-13-10-3-4-11(14-2)9-7-12-6-5-8(9)10/h3-4,12H,5-7H2,1-2H3
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1.93E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072986
PNG
(7-Methylsulfanyl-1,2,3,4-tetrahydro-isoquinoline |...)
Show SMILES CSc1ccc2CCNCc2c1
Show InChI InChI=1S/C10H13NS/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,4-5,7H2,1H3
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2.01E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50024836
PNG
(1,2,3,4-Tetrahydro-isoquinolin-8-ol | CHEMBL69312)
Show SMILES Oc1cccc2CCNCc12
Show InChI InChI=1S/C9H11NO/c11-9-3-1-2-7-4-5-10-6-8(7)9/h1-3,10-11H,4-6H2
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2.15E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50024824
PNG
(1,2,3,4-Tetrahydro-isoquinolin-5-ol | CHEMBL308021)
Show SMILES Oc1cccc2CNCCc12
Show InChI InChI=1S/C9H11NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-3,10-11H,4-6H2
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2.22E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50052887
PNG
(2,3-Dihydro-1H-isoindole | CHEMBL118475)
Show SMILES C1NCc2ccccc12
Show InChI InChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h1-4,9H,5-6H2
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
2.27E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50061314
PNG
(8-Methoxy-1,2,3,4-tetrahydro-benzo[h]isoquinoline ...)
Show SMILES COc1ccc2c3CNCCc3ccc2c1
Show InChI InChI=1S/C14H15NO/c1-16-12-4-5-13-11(8-12)3-2-10-6-7-15-9-14(10)13/h2-5,8,15H,6-7,9H2,1H3
PDB

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Article
PubMed
2.29E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50077539
PNG
(((S)-7-Nitro-1,2,3,4-tetrahydro-isoquinolin-3-yl)-...)
Show SMILES OC[C@@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.36E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
BindingDB Entry DOI: 10.7270/Q26Q20F9
More data for this
Ligand-Target Pair
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