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11 molecules are shown

Compile data set for download or QSAR
Wt: 208.2
BDBM50077537
Wt: 192.2
BDBM50077538
Wt: 192.2
BDBM50077543
Wt: 192.2
BDBM50077544
Wt: 206.2
BDBM50080523
Wt: 222.2
BDBM50160904
Wt: 236.2
BDBM50160905
Wt: 228.1
BDBM50160906
Wt: 246.1
BDBM50174115
Wt: 206.2
BDBM50174119
Wt: 246.1
BDBM50174130

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50077537,50077538,50077543,50077544,50080523,50160904,50160905,50160906,50174115,50174119,50174130   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
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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16n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human PNMT by radiochemical assay


Bioorg Med Chem 16: 542-59 (2008)


Article DOI: 10.1016/j.bmc.2007.08.066
BindingDB Entry DOI: 10.7270/Q24B312R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50077537
PNG
((+)-(7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)me...)
Show SMILES OCC1Cc2ccc(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
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17n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of wild type human PNMT


J Med Chem 50: 4845-53 (2007)


Article DOI: 10.1021/jm0703385
BindingDB Entry DOI: 10.7270/Q2ZC82KK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50077537
PNG
((+)-(7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)me...)
Show SMILES OCC1Cc2ccc(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
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47n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity against Human phenylethanolamine N-methyltransferase


Bioorg Med Chem Lett 15: 1143-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.013
BindingDB Entry DOI: 10.7270/Q2X63MFG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50077543
PNG
(3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoline |...)
Show SMILES CC1Cc2ccc(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
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72n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against human PNMT


Bioorg Med Chem Lett 15: 5319-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.033
BindingDB Entry DOI: 10.7270/Q20V8CB9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50077543
PNG
(3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoline |...)
Show SMILES CC1Cc2ccc(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
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72n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of bovine PNMT by radiochemical assay


Bioorg Med Chem 16: 542-59 (2008)


Article DOI: 10.1016/j.bmc.2007.08.066
BindingDB Entry DOI: 10.7270/Q24B312R
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50160906
PNG
((+/-)-3-difluoromethyl-7-nitro-1,2,3,4-tetrahydroi...)
Show SMILES [O-][N+](=O)c1ccc2CC(NCc2c1)C(F)F
Show InChI InChI=1S/C10H10F2N2O2/c11-10(12)9-4-6-1-2-8(14(15)16)3-7(6)5-13-9/h1-3,9-10,13H,4-5H2
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170n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to human PNMT


J Med Chem 49: 2939-52 (2006)


Article DOI: 10.1021/jm051262k
BindingDB Entry DOI: 10.7270/Q2K64HQ3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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250n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal Phenylethanolamine N-Methyltransferase


J Med Chem 42: 1982-90 (1999)


Article DOI: 10.1021/jm9807252
BindingDB Entry DOI: 10.7270/Q2959GR6
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50077538
PNG
((R)-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-/m1/s1
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250n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibition of PNMT (Phenylethanolamine N-Methyltransferase).


J Med Chem 42: 4351-61 (1999)


Article DOI: 10.1021/jm990086a
BindingDB Entry DOI: 10.7270/Q2X0667W
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50077537
PNG
((+)-(7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)me...)
Show SMILES OCC1Cc2ccc(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
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290n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal Phenylethanolamine N-Methyltransferase


J Med Chem 42: 1982-90 (1999)


Article DOI: 10.1021/jm9807252
BindingDB Entry DOI: 10.7270/Q2959GR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50077537
PNG
((+)-(7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)me...)
Show SMILES OCC1Cc2ccc(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
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290n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Ability to inhibit phenylethanolamine N-methyltransferase (PNMT)


J Med Chem 44: 2849-56 (2001)


Article DOI: 10.1021/jm010147g
BindingDB Entry DOI: 10.7270/Q2N58KNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50077543
PNG
(3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoline |...)
Show SMILES CC1Cc2ccc(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
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490n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal Phenylethanolamine N-Methyltransferase


J Med Chem 42: 1982-90 (1999)


Article DOI: 10.1021/jm9807252
BindingDB Entry DOI: 10.7270/Q2959GR6
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50174119
PNG
(3-ethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline | C...)
Show SMILES CCC1Cc2ccc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C11H14N2O2/c1-2-10-5-8-3-4-11(13(14)15)6-9(8)7-12-10/h3-4,6,10,12H,2,5,7H2,1H3
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490n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against human PNMT


Bioorg Med Chem Lett 15: 5319-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.033
BindingDB Entry DOI: 10.7270/Q20V8CB9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50160904
PNG
(2-(7-Nitro-1,2,3,4-tetrahydro-isoquinolin-3-yl)-et...)
Show SMILES OCCC1Cc2ccc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C11H14N2O3/c14-4-3-10-5-8-1-2-11(13(15)16)6-9(8)7-12-10/h1-2,6,10,12,14H,3-5,7H2
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510n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity against Human phenylethanolamine N-methyltransferase


Bioorg Med Chem Lett 15: 1143-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.013
BindingDB Entry DOI: 10.7270/Q2X63MFG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50174130
PNG
((R)-7-Nitro-3-trifluoromethyl-1,2,3,4-tetrahydro-i...)
Show SMILES [O-][N+](=O)c1ccc2C[C@@H](NCc2c1)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O2/c11-10(12,13)9-4-6-1-2-8(15(16)17)3-7(6)5-14-9/h1-3,9,14H,4-5H2/t9-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against human PNMT


Bioorg Med Chem Lett 15: 5319-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.033
BindingDB Entry DOI: 10.7270/Q20V8CB9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50077538
PNG
((R)-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-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal Phenylethanolamine N-Methyltransferase


J Med Chem 42: 1982-90 (1999)


Article DOI: 10.1021/jm9807252
BindingDB Entry DOI: 10.7270/Q2959GR6
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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1.30E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibition of PNMT (Phenylethanolamine N-Methyltransferase).


J Med Chem 42: 4351-61 (1999)


Article DOI: 10.1021/jm990086a
BindingDB Entry DOI: 10.7270/Q2X0667W
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
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50160905
PNG
(3-(7-Nitro-1,2,3,4-tetrahydro-isoquinolin-3-yl)-pr...)
Show SMILES OCCCC1Cc2ccc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C12H16N2O3/c15-5-1-2-11-6-9-3-4-12(14(16)17)7-10(9)8-13-11/h3-4,7,11,13,15H,1-2,5-6,8H2
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1.40E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity against Human phenylethanolamine N-methyltransferase


Bioorg Med Chem Lett 15: 1143-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.013
BindingDB Entry DOI: 10.7270/Q2X63MFG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50077538
PNG
((R)-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-/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human PNMT by radiochemical assay


Bioorg Med Chem 16: 542-59 (2008)


Article DOI: 10.1016/j.bmc.2007.08.066
BindingDB Entry DOI: 10.7270/Q24B312R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50080523
PNG
(7-Azido-3-fluoromethyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES FCC1Cc2ccc(cc2CN1)N=[N+]=[N-]
Show InChI InChI=1S/C10H11FN4/c11-5-10-3-7-1-2-9(14-15-12)4-8(7)6-13-10/h1-2,4,10,13H,3,5-6H2
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1.70E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Affinity for bovine Phenylethanolamine N-Methyltransferase (PNMT)


J Med Chem 42: 3588-601 (1999)


Article DOI: 10.1021/jm990045e
BindingDB Entry DOI: 10.7270/Q2NV9HFK
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50080523
PNG
(7-Azido-3-fluoromethyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES FCC1Cc2ccc(cc2CN1)N=[N+]=[N-]
Show InChI InChI=1S/C10H11FN4/c11-5-10-3-7-1-2-9(14-15-12)4-8(7)6-13-10/h1-2,4,10,13H,3,5-6H2
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1.70E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory constant against bovine phenylethanolamine N-methyl-transferase


Bioorg Med Chem Lett 11: 1579-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00245-1
BindingDB Entry DOI: 10.7270/Q2GF0V17
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50077538
PNG
((R)-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-/m1/s1
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2.77E+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
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50080523
PNG
(7-Azido-3-fluoromethyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES FCC1Cc2ccc(cc2CN1)N=[N+]=[N-]
Show InChI InChI=1S/C10H11FN4/c11-5-10-3-7-1-2-9(14-15-12)4-8(7)6-13-10/h1-2,4,10,13H,3,5-6H2
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3.50E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli


Bioorg Med Chem Lett 11: 1579-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00245-1
BindingDB Entry DOI: 10.7270/Q2GF0V17
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50160906
PNG
((+/-)-3-difluoromethyl-7-nitro-1,2,3,4-tetrahydroi...)
Show SMILES [O-][N+](=O)c1ccc2CC(NCc2c1)C(F)F
Show InChI InChI=1S/C10H10F2N2O2/c11-10(12)9-4-6-1-2-8(14(15)16)3-7(6)5-13-9/h1-3,9-10,13H,4-5H2
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3.60E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2A adrenergic receptor in CHO cells using [3H]-RX-821002 as radioligand


Bioorg Med Chem Lett 15: 1143-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.013
BindingDB Entry DOI: 10.7270/Q2X63MFG
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50077537
PNG
((+)-(7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)me...)
Show SMILES OCC1Cc2ccc(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
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3.90E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2A adrenergic receptor in CHO cells using [3H]-RX-821002 as radioligand


Bioorg Med Chem Lett 15: 1143-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.013
BindingDB Entry DOI: 10.7270/Q2X63MFG
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50174115
PNG
((S)-7-Nitro-3-trifluoromethyl-1,2,3,4-tetrahydro-i...)
Show SMILES [O-][N+](=O)c1ccc2C[C@H](NCc2c1)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O2/c11-10(12,13)9-4-6-1-2-8(15(16)17)3-7(6)5-14-9/h1-3,9,14H,4-5H2/t9-/m0/s1
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4.40E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against human PNMT


Bioorg Med Chem Lett 15: 5319-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.033
BindingDB Entry DOI: 10.7270/Q20V8CB9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50077543
PNG
(3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoline |...)
Show SMILES CC1Cc2ccc(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
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4.84E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2A adrenergic receptor in CHO cells using [3H]-RX-821002 as radioligand


Bioorg Med Chem Lett 15: 1143-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.013
BindingDB Entry DOI: 10.7270/Q2X63MFG
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
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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8.92E+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
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077538
PNG
((R)-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-/m1/s1
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1.38E+4n/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
More data for this
Ligand-Target Pair