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Compile Data Set for Download or QSAR

Found 133 hits with Last Name = 'albericio' and Initial = 'f'   
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
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088560
PNG
(CHEMBL3577045)
Show SMILES COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C21H21N3O6/c1-13(25)23-17-6-4-3-5-16(17)19(27)21(29)24-15-9-7-14(8-10-15)20(28)22-12-11-18(26)30-2/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,25)(H,24,29)
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n/an/a 1.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088563
PNG
(CHEMBL3577042)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C27H25N3O6/c1-17(31)28-22-11-7-6-10-21(22)24(32)26(34)29-20-14-12-19(13-15-20)25(33)30-23(27(35)36-2)16-18-8-4-3-5-9-18/h3-15,23H,16H2,1-2H3,(H,28,31)(H,29,34)(H,30,33)/t23-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088564
PNG
(CHEMBL3577041)
Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(C)C
Show InChI InChI=1S/C23H25N3O6/c1-13(2)19(23(31)32-4)26-21(29)15-9-11-16(12-10-15)25-22(30)20(28)17-7-5-6-8-18(17)24-14(3)27/h5-13,19H,1-4H3,(H,24,27)(H,25,30)(H,26,29)/t19-/m0/s1
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 2.90n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088568
PNG
(CHEMBL3577037)
Show SMILES COC(=O)CCNC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C14H16N2O5/c1-9(17)16-11-6-4-3-5-10(11)13(19)14(20)15-8-7-12(18)21-2/h3-6H,7-8H2,1-2H3,(H,15,20)(H,16,17)
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n/an/a 3.30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088562
PNG
(CHEMBL3577043)
Show SMILES COC(=O)C(C)(C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C22H23N3O6/c1-13(26)23-17-8-6-5-7-16(17)18(27)20(29)24-15-11-9-14(10-12-15)19(28)25-22(2,3)21(30)31-4/h5-12H,1-4H3,(H,23,26)(H,24,29)(H,25,28)
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n/an/a 3.60n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088565
PNG
(CHEMBL3577040)
Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C21H21N3O6/c1-12(21(29)30-3)22-19(27)14-8-10-15(11-9-14)24-20(28)18(26)16-6-4-5-7-17(16)23-13(2)25/h4-12H,1-3H3,(H,22,27)(H,23,25)(H,24,28)/t12-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088563
PNG
(CHEMBL3577042)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C27H25N3O6/c1-17(31)28-22-11-7-6-10-21(22)24(32)26(34)29-20-14-12-19(13-15-20)25(33)30-23(27(35)36-2)16-18-8-4-3-5-9-18/h3-15,23H,16H2,1-2H3,(H,28,31)(H,29,34)(H,30,33)/t23-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088557
PNG
(CHEMBL3577048)
Show SMILES COC(=O)C1(CCCC1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C24H25N3O6/c1-15(28)25-19-8-4-3-7-18(19)20(29)22(31)26-17-11-9-16(10-12-17)21(30)27-24(23(32)33-2)13-5-6-14-24/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,25,28)(H,26,31)(H,27,30)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM22787
PNG
(1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...)
Show SMILES CC(=O)N1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3
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n/an/a 3.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088562
PNG
(CHEMBL3577043)
Show SMILES COC(=O)C(C)(C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C22H23N3O6/c1-13(26)23-17-8-6-5-7-16(17)18(27)20(29)24-15-11-9-14(10-12-15)19(28)25-22(2,3)21(30)31-4/h5-12H,1-4H3,(H,23,26)(H,24,29)(H,25,28)
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n/an/a 4.30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088564
PNG
(CHEMBL3577041)
Show SMILES COC(=O)[C@@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(C)C
Show InChI InChI=1S/C23H25N3O6/c1-13(2)19(23(31)32-4)26-21(29)15-9-11-16(12-10-15)25-22(30)20(28)17-7-5-6-8-18(17)24-14(3)27/h5-13,19H,1-4H3,(H,24,27)(H,25,30)(H,26,29)/t19-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088554
PNG
(CHEMBL3577036)
Show SMILES COC(=O)C[C@H](NC(=O)C(=O)c1ccccc1NC(C)=O)C(=O)OC
Show InChI InChI=1S/C16H18N2O7/c1-9(19)17-11-7-5-4-6-10(11)14(21)15(22)18-12(16(23)25-3)8-13(20)24-2/h4-7,12H,8H2,1-3H3,(H,17,19)(H,18,22)/t12-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088557
PNG
(CHEMBL3577048)
Show SMILES COC(=O)C1(CCCC1)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C24H25N3O6/c1-15(28)25-19-8-4-3-7-18(19)20(29)22(31)26-17-11-9-16(10-12-17)21(30)27-24(23(32)33-2)13-5-6-14-24/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,25,28)(H,26,31)(H,27,30)
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n/an/a 4.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088555
PNG
(CHEMBL3577035)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C17H22N2O5/c1-10(2)9-14(17(23)24-4)19-16(22)15(21)12-7-5-6-8-13(12)18-11(3)20/h5-8,10,14H,9H2,1-4H3,(H,18,20)(H,19,22)/t14-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088559
PNG
(CHEMBL3577046)
Show SMILES COC(=O)CCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C22H23N3O6/c1-14(26)24-18-7-4-3-6-17(18)20(28)22(30)25-16-11-9-15(10-12-16)21(29)23-13-5-8-19(27)31-2/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,23,29)(H,24,26)(H,25,30)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088560
PNG
(CHEMBL3577045)
Show SMILES COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C21H21N3O6/c1-13(25)23-17-6-4-3-5-16(17)19(27)21(29)24-15-9-7-14(8-10-15)20(28)22-12-11-18(26)30-2/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,25)(H,24,29)
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n/an/a 5.30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM22787
PNG
(1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...)
Show SMILES CC(=O)N1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3
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n/an/a 5.60n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088554
PNG
(CHEMBL3577036)
Show SMILES COC(=O)C[C@H](NC(=O)C(=O)c1ccccc1NC(C)=O)C(=O)OC
Show InChI InChI=1S/C16H18N2O7/c1-9(19)17-11-7-5-4-6-10(11)14(21)15(22)18-12(16(23)25-3)8-13(20)24-2/h4-7,12H,8H2,1-3H3,(H,17,19)(H,18,22)/t12-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088559
PNG
(CHEMBL3577046)
Show SMILES COC(=O)CCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C22H23N3O6/c1-14(26)24-18-7-4-3-6-17(18)20(28)22(30)25-16-11-9-15(10-12-16)21(29)23-13-5-8-19(27)31-2/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,23,29)(H,24,26)(H,25,30)
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n/an/a 5.90n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088566
PNG
(CHEMBL3577039)
Show SMILES COC(=O)CCCCCNC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C17H22N2O5/c1-12(20)19-14-9-6-5-8-13(14)16(22)17(23)18-11-7-3-4-10-15(21)24-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,18,23)(H,19,20)
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n/an/a 5.90n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088561
PNG
(CHEMBL3577044)
Show SMILES COC(=O)C[C@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(=O)OC
Show InChI InChI=1S/C23H23N3O8/c1-13(27)24-17-7-5-4-6-16(17)20(29)22(31)25-15-10-8-14(9-11-15)21(30)26-18(23(32)34-3)12-19(28)33-2/h4-11,18H,12H2,1-3H3,(H,24,27)(H,25,31)(H,26,30)/t18-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088567
PNG
(CHEMBL3577038)
Show SMILES COC(=O)CCCNC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C15H18N2O5/c1-10(18)17-12-7-4-3-6-11(12)14(20)15(21)16-9-5-8-13(19)22-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,21)(H,17,18)
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n/an/a 6.20n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088566
PNG
(CHEMBL3577039)
Show SMILES COC(=O)CCCCCNC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C17H22N2O5/c1-12(20)19-14-9-6-5-8-13(14)16(22)17(23)18-11-7-3-4-10-15(21)24-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,18,23)(H,19,20)
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n/an/a 6.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088555
PNG
(CHEMBL3577035)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C17H22N2O5/c1-10(2)9-14(17(23)24-4)19-16(22)15(21)12-7-5-6-8-13(12)18-11(3)20/h5-8,10,14H,9H2,1-4H3,(H,18,20)(H,19,22)/t14-/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088565
PNG
(CHEMBL3577040)
Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C21H21N3O6/c1-12(21(29)30-3)22-19(27)14-8-10-15(11-9-14)24-20(28)18(26)16-6-4-5-7-17(16)23-13(2)25/h4-12H,1-3H3,(H,22,27)(H,23,25)(H,24,28)/t12-/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088558
PNG
(CHEMBL3577047)
Show SMILES COC(=O)CCCCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C24H27N3O6/c1-16(28)26-20-9-6-5-8-19(20)22(30)24(32)27-18-13-11-17(12-14-18)23(31)25-15-7-3-4-10-21(29)33-2/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,25,31)(H,26,28)(H,27,32)
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n/an/a 7.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088561
PNG
(CHEMBL3577044)
Show SMILES COC(=O)C[C@H](NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1)C(=O)OC
Show InChI InChI=1S/C23H23N3O8/c1-13(27)24-17-7-5-4-6-16(17)20(29)22(31)25-15-10-8-14(9-11-15)21(30)26-18(23(32)34-3)12-19(28)33-2/h4-11,18H,12H2,1-3H3,(H,24,27)(H,25,31)(H,26,30)/t18-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088556
PNG
(CHEMBL3577034)
Show SMILES CCOC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C19H18N2O5/c1-3-26-19(25)13-8-10-14(11-9-13)21-18(24)17(23)15-6-4-5-7-16(15)20-12(2)22/h4-11H,3H2,1-2H3,(H,20,22)(H,21,24)
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n/an/a 8.30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50088558
PNG
(CHEMBL3577047)
Show SMILES COC(=O)CCCCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C24H27N3O6/c1-16(28)26-20-9-6-5-8-19(20)22(30)24(32)27-18-13-11-17(12-14-18)23(31)25-15-7-3-4-10-21(29)33-2/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,25,31)(H,26,28)(H,27,32)
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n/an/a 9.30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088567
PNG
(CHEMBL3577038)
Show SMILES COC(=O)CCCNC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C15H18N2O5/c1-10(18)17-12-7-4-3-6-11(12)14(20)15(21)16-9-5-8-13(19)22-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,21)(H,17,18)
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n/an/a 9.5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 9.80n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088568
PNG
(CHEMBL3577037)
Show SMILES COC(=O)CCNC(=O)C(=O)c1ccccc1NC(C)=O
Show InChI InChI=1S/C14H16N2O5/c1-9(17)16-11-6-4-3-5-10(11)13(19)14(20)15-8-7-12(18)21-2/h3-6H,7-8H2,1-2H3,(H,15,20)(H,16,17)
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n/an/a 9.90n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50088556
PNG
(CHEMBL3577034)
Show SMILES CCOC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
Show InChI InChI=1S/C19H18N2O5/c1-3-26-19(25)13-8-10-14(11-9-13)21-18(24)17(23)15-6-4-5-7-16(15)20-12(2)22/h4-11H,3H2,1-2H3,(H,20,22)(H,21,24)
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n/an/a 9.90n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate


Bioorg Med Chem Lett 25: 70-4 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.007
BindingDB Entry DOI: 10.7270/Q24F1SGH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226429
PNG
(CHEMBL237354 | [L-arginyl]-N-(2,4-dichlorophenethy...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H30Cl4N6O2/c25-17-5-3-15(19(27)12-17)7-10-32-22(35)14-34(11-8-16-4-6-18(26)13-20(16)28)23(36)21(29)2-1-9-33-24(30)31/h3-6,12-13,21H,1-2,7-11,14,29H2,(H,32,35)(H4,30,31,33)/t21-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226436
PNG
(CHEMBL401228 | [L-arginyl]-[N-(2,4-dichloropheneth...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O
Show InChI InChI=1S/C28H36Cl2N8O3/c29-20-8-7-18(22(30)14-20)9-13-38(27(41)23(31)5-3-11-35-28(33)34)17-26(40)37(16-25(32)39)12-10-19-15-36-24-6-2-1-4-21(19)24/h1-2,4,6-8,14-15,23,36H,3,5,9-13,16-17,31H2,(H2,32,39)(H4,33,34,35)/t23-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226431
PNG
(CHEMBL237138 | [[N-(2,4-dichlorophenethyl)-N-(6-am...)
Show SMILES NCCCCCCN(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O
Show InChI InChI=1S/C26H34Cl4N4O2/c27-21-7-5-19(23(29)15-21)9-13-33(12-4-2-1-3-11-31)18-26(36)34(17-25(32)35)14-10-20-6-8-22(28)16-24(20)30/h5-8,15-16H,1-4,9-14,17-18,31H2,(H2,32,35)
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n/an/a 400n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226430
PNG
(CHEMBL400008 | [L-arginyl]-[N-[2-(indol-3-yl)ethyl...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O
Show InChI InChI=1S/C28H36Cl2N8O3/c29-20-8-7-18(22(30)14-20)9-12-37(16-25(32)39)26(40)17-38(27(41)23(31)5-3-11-35-28(33)34)13-10-19-15-36-24-6-2-1-4-21(19)24/h1-2,4,6-8,14-15,23,36H,3,5,9-13,16-17,31H2,(H2,32,39)(H4,33,34,35)/t23-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226435
PNG
((S)-N-(2,4-dichlorophenethyl)-N-(2-((2,4-dichlorop...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O
Show InChI InChI=1S/C26H33Cl4N7O3/c27-18-5-3-16(20(29)12-18)7-10-36(14-23(32)38)24(39)15-37(11-8-17-4-6-19(28)13-21(17)30)25(40)22(31)2-1-9-35-26(33)34/h3-6,12-13,22H,1-2,7-11,14-15,31H2,(H2,32,38)(H4,33,34,35)/t22-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226432
PNG
(CHEMBL430173 | cis-(L-arginyl)amino-N-(2,4-dichlor...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1C[C@H](N(Cc2ccc(Cl)cc2Cl)C1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H33Cl4N7O2/c27-17-5-3-15(20(29)10-17)7-9-34-25(39)23-12-19(36-24(38)22(31)2-1-8-35-26(32)33)14-37(23)13-16-4-6-18(28)11-21(16)30/h3-6,10-11,19,22-23H,1-2,7-9,12-14,31H2,(H,34,39)(H,36,38)(H4,32,33,35)/t19-,22-,23-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50226429
PNG
(CHEMBL237354 | [L-arginyl]-N-(2,4-dichlorophenethy...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H30Cl4N6O2/c25-17-5-3-15(19(27)12-17)7-10-32-22(35)14-34(11-8-16-4-6-18(26)13-20(16)28)23(36)21(29)2-1-9-33-24(30)31/h3-6,12-13,21H,1-2,7-11,14,29H2,(H,32,35)(H4,30,31,33)/t21-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226434
PNG
(CHEMBL392540 | [L-arginyl]-N-[2-(indol-3-yl)ethyl]...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C28H36N8O2/c29-23(8-5-13-33-28(30)31)27(38)36(15-12-20-17-35-25-10-4-2-7-22(20)25)18-26(37)32-14-11-19-16-34-24-9-3-1-6-21(19)24/h1-4,6-7,9-10,16-17,23,34-35H,5,8,11-15,18,29H2,(H,32,37)(H4,30,31,33)/t23-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226433
PNG
(CHEMBL395124 | [L-arginyl]-[N-[2-(indol-3-yl)-ethy...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O
Show InChI InChI=1S/C30H39N9O3/c31-24(8-5-13-35-30(33)34)29(42)39(15-12-21-17-37-26-10-4-2-7-23(21)26)19-28(41)38(18-27(32)40)14-11-20-16-36-25-9-3-1-6-22(20)25/h1-4,6-7,9-10,16-17,24,36-37H,5,8,11-15,18-19,31H2,(H2,32,40)(H4,33,34,35)/t24-/m0/s1
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n/an/a 1.33E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162761
PNG
(CHEMBL180302 | [4-Guanidino-1-((S)-4-{(S)-5-[4-((S...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C31H51N11O6/c32-29(33)38-18-8-14-22(42-31(47)48-20-21-10-2-1-3-11-21)26(44)37-17-7-5-13-24-28(46)40-23(27(45)41-24)12-4-6-16-36-25(43)15-9-19-39-30(34)35/h1-3,10-11,22-24H,4-9,12-20H2,(H,36,43)(H,37,44)(H,40,46)(H,41,45)(H,42,47)(H4,32,33,38)(H4,34,35,39)/t22-,23-,24-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162770
PNG
(CHEMBL180281 | N-[4-Guanidino-1-((S)-4-{(S)-5-[4-(...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C30H49N11O5/c31-29(32)37-18-8-14-21(39-25(43)20-10-2-1-3-11-20)26(44)36-17-7-5-13-23-28(46)40-22(27(45)41-23)12-4-6-16-35-24(42)15-9-19-38-30(33)34/h1-3,10-11,21-23H,4-9,12-19H2,(H,35,42)(H,36,44)(H,39,43)(H,40,46)(H,41,45)(H4,31,32,37)(H4,33,34,38)/t21-,22-,23-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50226431
PNG
(CHEMBL237138 | [[N-(2,4-dichlorophenethyl)-N-(6-am...)
Show SMILES NCCCCCCN(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O
Show InChI InChI=1S/C26H34Cl4N4O2/c27-21-7-5-19(23(29)15-21)9-13-33(12-4-2-1-3-11-31)18-26(36)34(17-25(32)35)14-10-20-6-8-22(28)16-24(20)30/h5-8,15-16H,1-4,9-14,17-18,31H2,(H2,32,35)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162764
PNG
(CHEMBL359680 | [1-((S)-4-{(S)-5-[4-((S)-(S)-2-Benz...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc2ccccc2)NC1=O
Show InChI InChI=1S/C40H60N12O8/c41-37(42)47-23-11-19-29(51-39(57)59-25-27-13-3-1-4-14-27)33(53)45-21-9-7-17-31-35(55)50-32(36(56)49-31)18-8-10-22-46-34(54)30(20-12-24-48-38(43)44)52-40(58)60-26-28-15-5-2-6-16-28/h1-6,13-16,29-32H,7-12,17-26H2,(H,45,53)(H,46,54)(H,49,56)(H,50,55)(H,51,57)(H,52,58)(H4,41,42,47)(H4,43,44,48)/t29-,30-,31-,32-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162760
PNG
(4-Guanidino-N-[(S)-4-((S)-5-{4-[2-(2-imino-imidazo...)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CN2CCN=C2N)NC1=O
Show InChI InChI=1S/C25H38N10O4/c26-24(27)32-17-9-7-16(8-10-17)21(37)30-12-4-2-6-19-23(39)33-18(22(38)34-19)5-1-3-11-29-20(36)15-35-14-13-31-25(35)28/h7-10,18-19H,1-6,11-15H2,(H2,28,31)(H,29,36)(H,30,37)(H,33,39)(H,34,38)(H4,26,27,32)/t18-,19-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162758
PNG
(4-Guanidino-N-(4-{(S)-5-[4-((S)-4-guanidino-butyry...)
Show SMILES NC(=N)NCCCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C22H42N10O4/c23-21(24)29-13-5-9-17(33)27-11-3-1-7-15-19(35)32-16(20(36)31-15)8-2-4-12-28-18(34)10-6-14-30-22(25)26/h15-16H,1-14H2,(H,27,33)(H,28,34)(H,31,36)(H,32,35)(H4,23,24,29)(H4,25,26,30)/t15-,16-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens)
BDBM50162762
PNG
(CHEMBL181327 | [(S)-4-Guanidino-1-((S)-4-{(S)-5-[4...)
Show SMILES NC(=N)NCCCCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc2ccccc2)NC1=O
Show InChI InChI=1S/C32H53N11O6/c33-30(34)39-19-9-6-16-26(44)37-17-7-4-13-24-28(46)42-25(29(47)41-24)14-5-8-18-38-27(45)23(15-10-20-40-31(35)36)43-32(48)49-21-22-11-2-1-3-12-22/h1-3,11-12,23-25H,4-10,13-21H2,(H,37,44)(H,38,45)(H,41,47)(H,42,46)(H,43,48)(H4,33,34,39)(H4,35,36,40)/t23-,24-,25-/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Inhibitory concentration against tryptase


Bioorg Med Chem Lett 15: 1659-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.048
BindingDB Entry DOI: 10.7270/Q21N80N1
More data for this
Ligand-Target Pair
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