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Compile Data Set for Download or QSAR

Found 1299 hits with Last Name = 'ek' and Initial = 'me'   
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
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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1.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014633
PNG
(6,7-Dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydro-isoq...)
Show SMILES COc1cc2CCN(C)[C@@H](C)c2cc1OC
Show InChI InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014661
PNG
(6,7,8-Trimethoxy-1-methyl-3,4-dihydro-isoquinoline...)
Show SMILES COc1cc2CCN=C(C)c2c(OC)c1OC |t:7|
Show InChI InChI=1S/C13H17NO3/c1-8-11-9(5-6-14-8)7-10(15-2)12(16-3)13(11)17-4/h7H,5-6H2,1-4H3
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2.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014656
PNG
(6,7-Dimethoxy-1-methyl-3,4-dihydro-isoquinoline | ...)
Show SMILES COc1cc2CCN=C(C)c2cc1OC |t:7|
Show InChI InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3
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4.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014638
PNG
(6-Methoxy-2-methyl-3,4-dihydro-isoquinolinium; iod...)
Show SMILES COc1ccc2C=[N+](C)CCc2c1 |t:6|
Show InChI InChI=1S/C11H14NO/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12/h3-4,7-8H,5-6H2,1-2H3/q+1
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4.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014636
PNG
(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN[C@H](C)c2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3/t8-/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014649
PNG
(6,7-Dimethoxy-2-methyl-3,4-dihydro-isoquinolinium;...)
Show SMILES COc1cc2CC[N+](C)=Cc2cc1OC |c:8|
Show InChI InChI=1S/C12H16NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-8H,4-5H2,1-3H3/q+1
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6.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014664
PNG
(5,6,7,8-Tetramethoxy-1-methyl-3,4-dihydro-isoquino...)
Show SMILES COc1c2CCN=C(C)c2c(OC)c(OC)c1OC |t:6|
Show InChI InChI=1S/C14H19NO4/c1-8-10-9(6-7-15-8)11(16-2)13(18-4)14(19-5)12(10)17-3/h6-7H2,1-5H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014639
PNG
(6-Methoxy-1-methyl-3,4-dihydro-isoquinolin-7-ol | ...)
Show SMILES COc1cc2CCN=C(C)c2cc1O |t:7|
Show InChI InChI=1S/C11H13NO2/c1-7-9-6-10(13)11(14-2)5-8(9)3-4-12-7/h5-6,13H,3-4H2,1-2H3
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1.30E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014638
PNG
(6-Methoxy-2-methyl-3,4-dihydro-isoquinolinium; iod...)
Show SMILES COc1ccc2C=[N+](C)CCc2c1 |t:6|
Show InChI InChI=1S/C11H14NO/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12/h3-4,7-8H,5-6H2,1-2H3/q+1
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1.50E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
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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1.50E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014637
PNG
(5,6,7,8-Tetramethoxy-1-methyl-isoquinoline; hydroc...)
Show SMILES COc1c(OC)c(OC)c2c(C)nccc2c1OC
Show InChI InChI=1S/C14H17NO4/c1-8-10-9(6-7-15-8)11(16-2)13(18-4)14(19-5)12(10)17-3/h6-7H,1-5H3
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1.70E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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2.70E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
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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2.70E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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2.90E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014640
PNG
(1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol;...)
Show SMILES C[C@H]1NCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m1/s1
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3.10E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014657
PNG
(6-Methoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-...)
Show SMILES COc1cc2CCNC(C)c2cc1O
Show InChI InChI=1S/C11H15NO2/c1-7-9-6-10(13)11(14-2)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3
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3.40E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014662
PNG
(1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...)
Show SMILES CC1N(C)CCc2cc(O)c(O)cc12
Show InChI InChI=1S/C11H15NO2/c1-7-9-6-11(14)10(13)5-8(9)3-4-12(7)2/h5-7,13-14H,3-4H2,1-2H3
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3.60E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014654
PNG
(5,6,7,8-Tetramethoxy-1-methyl-isoquinoline; hydroc...)
Show SMILES COc1cc2ccncc2c(OC)c1OC
Show InChI InChI=1S/C12H13NO3/c1-14-10-6-8-4-5-13-7-9(8)11(15-2)12(10)16-3/h4-7H,1-3H3
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4.10E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014634
PNG
(7-Methoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-...)
Show SMILES COc1cc2[C@H](C)N(C)CCc2cc1O
Show InChI InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14)6-9(10)4-5-13(8)2/h6-8,14H,4-5H2,1-3H3/t8-/m0/s1
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7.00E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human placental Monoamine oxidase A (mixed inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014644
PNG
(2-Methyl-3,4-dihydro-isoquinolinium; iodide | CHEM...)
Show SMILES C[N+]1=Cc2ccccc2CC1 |t:1|
Show InChI InChI=1S/C10H12N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,8H,6-7H2,1H3/q+1
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7.60E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014641
PNG
(7-Methoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-...)
Show SMILES COc1cc2[C@@H](C)NCCc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3/t7-/m1/s1
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7.70E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014660
PNG
(7-Methoxy-1-methyl-3,4-dihydro-isoquinolin-6-ol; h...)
Show SMILES COc1cc2C(C)=NCCc2cc1O |c:6|
Show InChI InChI=1S/C11H13NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-6,13H,3-4H2,1-2H3
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8.00E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50367917
PNG
(CHEMBL454315)
Show SMILES COc1cc2CCN(C)[C@@H](C)c2cc1OC |r|
Show InChI InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1
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1.02E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014646
PNG
(1-Methyl-isoquinoline-6,7-diol; hydrobromide | CHE...)
Show SMILES Cc1nccc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H9NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h2-5,12-13H,1H3
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1.30E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human placental Monoamine oxidase A (mixed inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014645
PNG
(7-Methoxy-1-methyl-isoquinolin-6-ol | 7-Methoxy-1-...)
Show SMILES COS(O)(=O)=O.COc1cc2c(C)nccc2cc1O
Show InChI InChI=1S/C11H11NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h3-6,13H,1-2H3
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1.30E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014644
PNG
(2-Methyl-3,4-dihydro-isoquinolinium; iodide | CHEM...)
Show SMILES C[N+]1=Cc2ccccc2CC1 |t:1|
Show InChI InChI=1S/C10H12N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,8H,6-7H2,1H3/q+1
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1.30E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014645
PNG
(7-Methoxy-1-methyl-isoquinolin-6-ol | 7-Methoxy-1-...)
Show SMILES COS(O)(=O)=O.COc1cc2c(C)nccc2cc1O
Show InChI InChI=1S/C11H11NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h3-6,13H,1-2H3
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1.50E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50367918
PNG
(CHEMBL510708)
Show SMILES COc1cc2[C@H](C)NCCc2cc1O |r|
Show InChI InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3/t7-/m0/s1
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1.60E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014643
PNG
(6,7,8-Trimethoxy-1,2-dimethyl-1,2,3,4-tetrahydro-i...)
Show SMILES COc1cc2CCN(C)C(C)c2c(OC)c1OC
Show InChI InChI=1S/C14H21NO3/c1-9-12-10(6-7-15(9)2)8-11(16-3)13(17-4)14(12)18-5/h8-9H,6-7H2,1-5H3
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1.60E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014642
PNG
(6,7,8-Trimethoxy-1-methyl-1,2,3,4-tetrahydro-isoqu...)
Show SMILES COc1cc2CCNC(C)c2c(OC)c1OC
Show InChI InChI=1S/C13H19NO3/c1-8-11-9(5-6-14-8)7-10(15-2)12(16-3)13(11)17-4/h7-8,14H,5-6H2,1-4H3
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1.70E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014636
PNG
(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN[C@H](C)c2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3/t8-/m1/s1
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1.86E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
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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2.10E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014650
PNG
(5,6,7,8-Tetramethoxy-2-methyl-1,2,3,4-tetrahydro-i...)
Show SMILES COc1c2CCN(C)Cc2c(OC)c(OC)c1OC
Show InChI InChI=1S/C14H21NO4/c1-15-7-6-9-10(8-15)12(17-3)14(19-5)13(18-4)11(9)16-2/h6-8H2,1-5H3
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2.60E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014640
PNG
(1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol;...)
Show SMILES C[C@H]1NCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m1/s1
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2.84E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014655
PNG
(5,6,7,8-Tetramethoxy-1,2,3,4-tetrahydro-isoquinoli...)
Show SMILES COc1c2CCNCc2c(OC)c(OC)c1OC
Show InChI InChI=1S/C13H19NO4/c1-15-10-8-5-6-14-7-9(8)11(16-2)13(18-4)12(10)17-3/h14H,5-7H2,1-4H3
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5.80E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (mixed inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014655
PNG
(5,6,7,8-Tetramethoxy-1,2,3,4-tetrahydro-isoquinoli...)
Show SMILES COc1c2CCNCc2c(OC)c(OC)c1OC
Show InChI InChI=1S/C13H19NO4/c1-15-10-8-5-6-14-7-9(8)11(16-2)13(18-4)12(10)17-3/h14H,5-7H2,1-4H3
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7.00E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human placental Monoamine oxidase A (mixed inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014652
PNG
(5,6,7,8-Tetramethoxy-1-methyl-1,2,3,4-tetrahydro-i...)
Show SMILES COc1c2CCNC(C)c2c(OC)c(OC)c1OC
Show InChI InChI=1S/C14H21NO4/c1-8-10-9(6-7-15-8)11(16-2)13(18-4)14(19-5)12(10)17-3/h8,15H,6-7H2,1-5H3
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1.00E+6n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014647
PNG
(1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...)
Show SMILES CN1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3
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1.30E+6n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50367917
PNG
(CHEMBL454315)
Show SMILES COc1cc2CCN(C)[C@@H](C)c2cc1OC |r|
Show InChI InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1
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1.60E+6n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (mixed inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014650
PNG
(5,6,7,8-Tetramethoxy-2-methyl-1,2,3,4-tetrahydro-i...)
Show SMILES COc1c2CCN(C)Cc2c(OC)c(OC)c1OC
Show InChI InChI=1S/C14H21NO4/c1-15-7-6-9-10(8-15)12(17-3)14(19-5)13(18-4)11(9)16-2/h6-8H2,1-5H3
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1.90E+6n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014634
PNG
(7-Methoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-...)
Show SMILES COc1cc2[C@H](C)N(C)CCc2cc1O
Show InChI InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14)6-9(10)4-5-13(8)2/h6-8,14H,4-5H2,1-3H3/t8-/m0/s1
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2.30E+6n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50489635
PNG
(CHEMBL2325632)
Show SMILES Ic1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cccc(CN2CCC2)c1
Show InChI InChI=1S/C25H20IN5O3S2/c26-20-5-7-24(22(13-20)18-4-1-3-17(11-18)15-31-9-2-10-31)34-23-8-6-21(12-19(23)14-27)36(32,33)30-25-28-16-29-35-25/h1,3-8,11-13,16H,2,9-10,15H2,(H,28,29,30)
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n/an/a 0.600n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NaV1.7 ion channel (unknown origin)


Bioorg Med Chem Lett 23: 261-3 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.102
BindingDB Entry DOI: 10.7270/Q2445QD6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50490372
PNG
(CHEMBL2325635)
Show SMILES Clc1cnc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3-c3ccnn3C3CNC3)c(c2)C#N)s1
Show InChI InChI=1S/C22H16Cl2N6O3S2/c23-14-1-3-20(17(8-14)18-5-6-28-30(18)15-10-26-11-15)33-19-4-2-16(7-13(19)9-25)35(31,32)29-22-27-12-21(24)34-22/h1-8,12,15,26H,10-11H2,(H,27,29)
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n/an/a 0.700n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NaV1.7 ion channel (unknown origin)


Bioorg Med Chem Lett 23: 261-3 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.102
BindingDB Entry DOI: 10.7270/Q2445QD6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50489482
PNG
(CHEMBL2325633)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cccc(CN2CCC2)c1
Show InChI InChI=1S/C26H20F3N5O3S2/c27-26(28,29)20-5-7-24(22(13-20)18-4-1-3-17(11-18)15-34-9-2-10-34)37-23-8-6-21(12-19(23)14-30)39(35,36)33-25-31-16-32-38-25/h1,3-8,11-13,16H,2,9-10,15H2,(H,31,32,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NaV1.7 ion channel (unknown origin)


Bioorg Med Chem Lett 23: 261-3 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.102
BindingDB Entry DOI: 10.7270/Q2445QD6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50489961
PNG
(CHEMBL2325634)
Show SMILES Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(n1)N1CCNCC1
Show InChI InChI=1S/C23H19ClN8O3S2/c24-16-1-3-21(18(12-16)19-5-6-27-22(30-19)32-9-7-26-8-10-32)35-20-4-2-17(11-15(20)13-25)37(33,34)31-23-28-14-29-36-23/h1-6,11-12,14,26H,7-10H2,(H,28,29,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NaV1.7 ion channel (unknown origin)


Bioorg Med Chem Lett 23: 261-3 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.102
BindingDB Entry DOI: 10.7270/Q2445QD6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50490439
PNG
(CHEMBL2325636)
Show SMILES Nc1cc(ccn1)-c1cc(ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncns1)C(F)(F)F
Show InChI InChI=1S/C20H12ClF4N5O3S2/c21-13-7-17(35(31,32)30-19-28-9-29-34-19)14(22)8-16(13)33-15-2-1-11(20(23,24)25)6-12(15)10-3-4-27-18(26)5-10/h1-9H,(H2,26,27)(H,28,29,30)
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n/an/a 0.800n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NaV1.7 ion channel (unknown origin)


Bioorg Med Chem Lett 23: 261-3 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.102
BindingDB Entry DOI: 10.7270/Q2445QD6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50490055
PNG
(CHEMBL2325638)
Show SMILES Fc1cc(Oc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)c(cc1Cl)-c1cn[nH]c1
Show InChI InChI=1S/C17H9ClF3N5O3S2/c18-10-1-9(8-5-23-24-6-8)14(2-11(10)19)29-15-3-13(21)16(4-12(15)20)31(27,28)26-17-22-7-25-30-17/h1-7H,(H,23,24)(H,22,25,26)
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n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NaV1.7 ion channel (unknown origin)


Bioorg Med Chem Lett 23: 261-3 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.102
BindingDB Entry DOI: 10.7270/Q2445QD6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50489634
PNG
(CHEMBL2325637)
Show SMILES Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1ccc(cc1Cl)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C17H12Cl2N6O3S2/c18-9-1-3-14(11(5-9)12-7-22-24-16(12)20)28-15-4-2-10(6-13(15)19)30(26,27)25-17-21-8-23-29-17/h1-8H,(H3,20,22,24)(H,21,23,25)
PDB

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n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NaV1.7 ion channel (unknown origin)


Bioorg Med Chem Lett 23: 261-3 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.102
BindingDB Entry DOI: 10.7270/Q2445QD6
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50490000
PNG
(CHEMBL2325639)
Show SMILES O[C@@H]1CCN(Cc2cccc(c2)-c2cc(ccc2Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)C(F)(F)F)C1 |r|
Show InChI InChI=1S/C27H22F3N5O4S2/c28-27(29,30)20-4-6-25(23(12-20)18-3-1-2-17(10-18)14-35-9-8-21(36)15-35)39-24-7-5-22(11-19(24)13-31)41(37,38)34-26-32-16-33-40-26/h1-7,10-12,16,21,36H,8-9,14-15H2,(H,32,33,34)/t21-/m1/s1
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
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UniChem
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n/an/a 1.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NaV1.7 ion channel (unknown origin)


Bioorg Med Chem Lett 23: 261-3 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.102
BindingDB Entry DOI: 10.7270/Q2445QD6
More data for this
Ligand-Target Pair
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