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PubMed code 27744252

Compile data set for download or QSAR
Found 102 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259594
PNG
(CHEMBL4068321)
Show SMILES Brc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C16H11BrO3/c17-13-5-1-11(2-6-13)10-19-14-7-3-12-4-8-16(18)20-15(12)9-14/h1-9H,10H2
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n/an/a 0.5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor mu 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259630
PNG
(CHEMBL4079843)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C17H12BrClO3/c1-10-14-7-6-13(8-15(14)22-17(20)16(10)19)21-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3
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n/an/a 0.800n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259595
PNG
(CHEMBL4097867)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C17H13BrO3/c1-11-8-17(19)21-16-9-14(6-7-15(11)16)20-10-12-2-4-13(18)5-3-12/h2-9H,10H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		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 1n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259597
PNG
(CHEMBL4105601)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C18H12BrNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Binding affinity against cathepsin B

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259593
PNG
(CHEMBL4095676)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C18H13NO3/c1-12-15-8-7-14(21-11-13-5-3-2-4-6-13)9-17(15)22-18(20)16(12)10-19/h2-9H,11H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to recombinant human Opioid receptor kappa 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 2n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor delta 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259629
PNG
(CHEMBL4094745)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H13ClO3/c1-11-14-8-7-13(9-15(14)21-17(19)16(11)18)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
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n/an/a 2.10n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259631
PNG
(CHEMBL4082300)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12
Show InChI InChI=1S/C18H12FNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Binding affinity against cathepsin B

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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n/an/a 3.80n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to recombinant human Opioid receptor delta 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to recombinant human Opioid receptor kappa 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259604
PNG
(CHEMBL4060398)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C18H12ClNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3
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n/an/a 13n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor mu 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 17n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259606
PNG
(CHEMBL4069084)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3Br)ccc12
Show InChI InChI=1S/C18H11Br2NO3/c1-10-14-5-4-13(7-17(14)24-18(22)15(10)8-21)23-9-11-2-3-12(19)6-16(11)20/h2-7H,9H2,1H3
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n/an/a 18n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to recombinant human Opioid receptor kappa 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259597
PNG
(CHEMBL4105601)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C18H12BrNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3
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n/an/a 50n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259595
PNG
(CHEMBL4097867)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C17H13BrO3/c1-11-8-17(19)21-16-9-14(6-7-15(11)16)20-10-12-2-4-13(18)5-3-12/h2-9H,10H2,1H3
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n/an/a 50n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259605
PNG
(CHEMBL4090150)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3Br)ccc12
Show InChI InChI=1S/C18H12BrNO3/c1-11-14-7-6-13(8-17(14)23-18(21)15(11)9-20)22-10-12-4-2-3-5-16(12)19/h2-8H,10H2,1H3
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n/an/a 73n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 102n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259603
PNG
(CHEMBL4087723)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C17H10BrF3O3/c18-11-3-1-10(2-4-11)9-23-12-5-6-13-14(17(19,20)21)8-16(22)24-15(13)7-12/h1-8H,9H2
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n/an/a 104n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259594
PNG
(CHEMBL4068321)
Show SMILES Brc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C16H11BrO3/c17-13-5-1-11(2-6-13)10-19-14-7-3-12-4-8-16(18)20-15(12)9-14/h1-9H,10H2
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n/an/a 240n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259633
PNG
(CHEMBL4067432)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C24H26ClNO3/c1-17-21-8-7-20(16-22(21)29-24(27)23(17)25)28-14-13-26-11-9-19(10-12-26)15-18-5-3-2-4-6-18/h2-8,16,19H,9-15H2,1H3
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n/an/a 290n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to recombinant human Opioid receptor delta 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259624
PNG
(CHEMBL4088674)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C25H26N2O3/c1-18-22-8-7-21(16-24(22)30-25(28)23(18)17-26)29-14-13-27-11-9-20(10-12-27)15-19-5-3-2-4-6-19/h2-8,16,20H,9-15H2,1H3
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n/an/a 300n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor kappa 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259630
PNG
(CHEMBL4079843)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C17H12BrClO3/c1-10-14-7-6-13(8-15(14)22-17(20)16(10)19)21-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3
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n/an/a 370n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259622
PNG
(CHEMBL4078343)
Show SMILES O=c1ccc2ccc(OCCN3CCC(Cc4ccccc4)CC3)cc2o1
Show InChI InChI=1S/C23H25NO3/c25-23-9-7-20-6-8-21(17-22(20)27-23)26-15-14-24-12-10-19(11-13-24)16-18-4-2-1-3-5-18/h1-9,17,19H,10-16H2
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n/an/a 470n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259623
PNG
(CHEMBL4096387)
Show SMILES Cc1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-18-15-24(26)28-23-17-21(7-8-22(18)23)27-14-13-25-11-9-20(10-12-25)16-19-5-3-2-4-6-19/h2-8,15,17,20H,9-14,16H2,1H3
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n/an/a 530n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor mu 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259631
PNG
(CHEMBL4082300)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12
Show InChI InChI=1S/C18H12FNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3
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n/an/a 600n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259606
PNG
(CHEMBL4069084)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3Br)ccc12
Show InChI InChI=1S/C18H11Br2NO3/c1-10-14-5-4-13(7-17(14)24-18(22)15(10)8-21)23-9-11-2-3-12(19)6-16(11)20/h2-7H,9H2,1H3
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n/an/a 720n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259629
PNG
(CHEMBL4094745)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H13ClO3/c1-11-14-8-7-13(9-15(14)21-17(19)16(11)18)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
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n/an/a 960n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259604
PNG
(CHEMBL4060398)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C18H12ClNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3
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n/an/a 1.13E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259633
PNG
(CHEMBL4067432)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C24H26ClNO3/c1-17-21-8-7-20(16-22(21)29-24(27)23(17)25)28-14-13-26-11-9-19(10-12-26)15-18-5-3-2-4-6-18/h2-8,16,19H,9-15H2,1H3
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n/an/a 1.27E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259593
PNG
(CHEMBL4095676)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C18H13NO3/c1-12-15-8-7-14(21-11-13-5-3-2-4-6-13)9-17(15)22-18(20)16(12)10-19/h2-9H,11H2,1H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259628
PNG
(CHEMBL4089608)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C24H24BrN3O3/c1-17-21-7-6-20(14-23(21)31-24(29)22(17)15-26)30-13-12-27-8-10-28(11-9-27)16-18-2-4-19(25)5-3-18/h2-7,14H,8-13,16H2,1H3
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n/an/a 1.41E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor kappa 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259627
PNG
(CHEMBL4104128)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C23H24BrClN2O3/c1-16-20-7-6-19(14-21(20)30-23(28)22(16)25)29-13-12-26-8-10-27(11-9-26)15-17-2-4-18(24)5-3-17/h2-7,14H,8-13,15H2,1H3
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n/an/a 1.55E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259634
PNG
(CHEMBL4066437)
Show SMILES Brc1ccc(CN2CCN(CCOc3ccc4ccc(=O)oc4c3)CC2)cc1
Show InChI InChI=1S/C22H23BrN2O3/c23-19-5-1-17(2-6-19)16-25-11-9-24(10-12-25)13-14-27-20-7-3-18-4-8-22(26)28-21(18)15-20/h1-8,15H,9-14,16H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor mu 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259629
PNG
(CHEMBL4094745)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H13ClO3/c1-11-14-8-7-13(9-15(14)21-17(19)16(11)18)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
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n/an/a 2.13E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Binding affinity against cathepsin B

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 2.62E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Binding affinity against cathepsin L

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 2.87E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259617
PNG
(CHEMBL4091054)
Show SMILES Cc1cc(=O)oc2cc(OCCN3CCCCC3)ccc12
Show InChI InChI=1S/C17H21NO3/c1-13-11-17(19)21-16-12-14(5-6-15(13)16)20-10-9-18-7-3-2-4-8-18/h5-6,11-12H,2-4,7-10H2,1H3
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n/an/a 3.09E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor mu 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259627
PNG
(CHEMBL4104128)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C23H24BrClN2O3/c1-16-20-7-6-19(14-21(20)30-23(28)22(16)25)29-13-12-26-8-10-27(11-9-26)15-17-2-4-18(24)5-3-17/h2-7,14H,8-13,15H2,1H3
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n/an/a 3.12E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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n/an/a 3.49E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259626
PNG
(CHEMBL4086218)
Show SMILES Cc1cc(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C23H25BrN2O3/c1-17-14-23(27)29-22-15-20(6-7-21(17)22)28-13-12-25-8-10-26(11-9-25)16-18-2-4-19(24)5-3-18/h2-7,14-15H,8-13,16H2,1H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to recombinant human Opioid receptor delta 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259623
PNG
(CHEMBL4096387)
Show SMILES Cc1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-18-15-24(26)28-23-17-21(7-8-22(18)23)27-14-13-25-11-9-20(10-12-25)16-19-5-3-2-4-6-19/h2-8,15,17,20H,9-14,16H2,1H3
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n/an/a 5.19E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259625
PNG
(CHEMBL4093982)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C24H24F3NO3/c25-24(26,27)21-16-23(29)31-22-15-19(6-7-20(21)22)30-13-12-28-10-8-18(9-11-28)14-17-4-2-1-3-5-17/h1-7,15-16,18H,8-14H2
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n/an/a 5.33E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259640
PNG
(CHEMBL4061479)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C23H22BrF3N2O3/c24-17-3-1-16(2-4-17)15-29-9-7-28(8-10-29)11-12-31-18-5-6-19-20(23(25,26)27)14-22(30)32-21(19)13-18/h1-6,13-14H,7-12,15H2
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n/an/a 5.64E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor delta 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259624
PNG
(CHEMBL4088674)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C25H26N2O3/c1-18-22-8-7-21(16-24(22)30-25(28)23(18)17-26)29-14-13-27-11-9-20(10-12-27)15-19-5-3-2-4-6-19/h2-8,16,20H,9-15H2,1H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259624
PNG
(CHEMBL4088674)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C25H26N2O3/c1-18-22-8-7-21(16-24(22)30-25(28)23(18)17-26)29-14-13-27-11-9-20(10-12-27)15-19-5-3-2-4-6-19/h2-8,16,20H,9-15H2,1H3
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50259632
PNG
(CHEMBL4063174)
Show SMILES O=c1ccc2ccc(OCCN3CCCCC3)cc2o1
Show InChI InChI=1S/C16H19NO3/c18-16-7-5-13-4-6-14(12-15(13)20-16)19-11-10-17-8-2-1-3-9-17/h4-7,12H,1-3,8-11H2
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n/an/a 9.21E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor delta 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259626
PNG
(CHEMBL4086218)
Show SMILES Cc1cc(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C23H25BrN2O3/c1-17-14-23(27)29-22-15-20(6-7-21(17)22)28-13-12-25-8-10-26(11-9-25)16-18-2-4-19(24)5-3-18/h2-7,14-15H,8-13,16H2,1H3
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n/an/a 9.70E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259605
PNG
(CHEMBL4090150)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3Br)ccc12
Show InChI InChI=1S/C18H12BrNO3/c1-11-14-7-6-13(8-17(14)23-18(21)15(11)9-20)22-10-12-4-2-3-5-16(12)19/h2-8H,10H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259626
PNG
(CHEMBL4086218)
Show SMILES Cc1cc(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C23H25BrN2O3/c1-17-14-23(27)29-22-15-20(6-7-21(17)22)28-13-12-25-8-10-26(11-9-25)16-18-2-4-19(24)5-3-18/h2-7,14-15H,8-13,16H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259633
PNG
(CHEMBL4067432)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C24H26ClNO3/c1-17-21-8-7-20(16-22(21)29-24(27)23(17)25)28-14-13-26-11-9-19(10-12-26)15-18-5-3-2-4-6-18/h2-8,16,19H,9-15H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259625
PNG
(CHEMBL4093982)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C24H24F3NO3/c25-24(26,27)21-16-23(29)31-22-15-19(6-7-20(21)22)30-13-12-28-10-8-18(9-11-28)14-17-4-2-1-3-5-17/h1-7,15-16,18H,8-14H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to recombinant human Opioid receptor delta 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259623
PNG
(CHEMBL4096387)
Show SMILES Cc1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-18-15-24(26)28-23-17-21(7-8-22(18)23)27-14-13-25-11-9-20(10-12-25)16-19-5-3-2-4-6-19/h2-8,15,17,20H,9-14,16H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor kappa 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259640
PNG
(CHEMBL4061479)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C23H22BrF3N2O3/c24-17-3-1-16(2-4-17)15-29-9-7-28(8-10-29)11-12-31-18-5-6-19-20(23(25,26)27)14-22(30)32-21(19)13-18/h1-6,13-14H,7-12,15H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor delta 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259628
PNG
(CHEMBL4089608)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C24H24BrN3O3/c1-17-21-7-6-20(14-23(21)31-24(29)22(17)15-26)30-13-12-27-8-10-28(11-9-27)16-18-2-4-19(25)5-3-18/h2-7,14H,8-13,16H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor delta 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259634
PNG
(CHEMBL4066437)
Show SMILES Brc1ccc(CN2CCN(CCOc3ccc4ccc(=O)oc4c3)CC2)cc1
Show InChI InChI=1S/C22H23BrN2O3/c23-19-5-1-17(2-6-19)16-25-11-9-24(10-12-25)13-14-27-20-7-3-18-4-8-22(26)28-21(18)15-20/h1-8,15H,9-14,16H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to recombinant human Opioid receptor kappa 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259622
PNG
(CHEMBL4078343)
Show SMILES O=c1ccc2ccc(OCCN3CCC(Cc4ccccc4)CC3)cc2o1
Show InChI InChI=1S/C23H25NO3/c25-23-9-7-20-6-8-21(17-22(20)27-23)26-15-14-24-12-10-19(11-13-24)16-18-4-2-1-3-5-18/h1-9,17,19H,10-16H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to recombinant human Opioid receptor kappa 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259624
PNG
(CHEMBL4088674)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C25H26N2O3/c1-18-22-8-7-21(16-24(22)30-25(28)23(18)17-26)29-14-13-27-11-9-20(10-12-27)15-19-5-3-2-4-6-19/h2-8,16,20H,9-15H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to recombinant human Opioid receptor delta 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259627
PNG
(CHEMBL4104128)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C23H24BrClN2O3/c1-16-20-7-6-19(14-21(20)30-23(28)22(16)25)29-13-12-26-8-10-27(11-9-26)15-17-2-4-18(24)5-3-17/h2-7,14H,8-13,15H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPcS binding against recombinant human opioid receptor kappa 1

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50259603
PNG
(CHEMBL4087723)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C17H10BrF3O3/c18-11-3-1-10(2-4-11)9-23-12-5-6-13-14(17(19,20)21)8-16(22)24-15(13)7-12/h1-8H,9H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259626
PNG
(CHEMBL4086218)
Show SMILES Cc1cc(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C23H25BrN2O3/c1-17-14-23(27)29-22-15-20(6-7-21(17)22)28-13-12-25-8-10-26(11-9-25)16-18-2-4-19(24)5-3-18/h2-7,14-15H,8-13,16H2,1H3
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n/an/a 1.28E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Binding affinity against cathepsin L

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259628
PNG
(CHEMBL4089608)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C24H24BrN3O3/c1-17-21-7-6-20(14-23(21)31-24(29)22(17)15-26)30-13-12-27-8-10-28(11-9-27)16-18-2-4-19(25)5-3-18/h2-7,14H,8-13,16H2,1H3
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n/an/a 1.33E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259622
PNG
(CHEMBL4078343)
Show SMILES O=c1ccc2ccc(OCCN3CCC(Cc4ccccc4)CC3)cc2o1
Show InChI InChI=1S/C23H25NO3/c25-23-9-7-20-6-8-21(17-22(20)27-23)26-15-14-24-12-10-19(11-13-24)16-18-4-2-1-3-5-18/h1-9,17,19H,10-16H2
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n/an/a 2.03E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259593
PNG
(CHEMBL4095676)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C18H13NO3/c1-12-15-8-7-14(21-11-13-5-3-2-4-6-13)9-17(15)22-18(20)16(12)10-19/h2-9H,11H2,1H3
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n/an/a 2.18E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259623
PNG
(CHEMBL4096387)
Show SMILES Cc1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-18-15-24(26)28-23-17-21(7-8-22(18)23)27-14-13-25-11-9-20(10-12-25)16-19-5-3-2-4-6-19/h2-8,15,17,20H,9-14,16H2,1H3
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n/an/a 2.94E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259633
PNG
(CHEMBL4067432)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C24H26ClNO3/c1-17-21-8-7-20(16-22(21)29-24(27)23(17)25)28-14-13-26-11-9-19(10-12-26)15-18-5-3-2-4-6-18/h2-8,16,19H,9-15H2,1H3
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n/an/a 3.13E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259622
PNG
(CHEMBL4078343)
Show SMILES O=c1ccc2ccc(OCCN3CCC(Cc4ccccc4)CC3)cc2o1
Show InChI InChI=1S/C23H25NO3/c25-23-9-7-20-6-8-21(17-22(20)27-23)26-15-14-24-12-10-19(11-13-24)16-18-4-2-1-3-5-18/h1-9,17,19H,10-16H2
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n/an/a 3.67E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259628
PNG
(CHEMBL4089608)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C24H24BrN3O3/c1-17-21-7-6-20(14-23(21)31-24(29)22(17)15-26)30-13-12-27-8-10-28(11-9-27)16-18-2-4-19(25)5-3-18/h2-7,14H,8-13,16H2,1H3
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n/an/a 3.85E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259634
PNG
(CHEMBL4066437)
Show SMILES Brc1ccc(CN2CCN(CCOc3ccc4ccc(=O)oc4c3)CC2)cc1
Show InChI InChI=1S/C22H23BrN2O3/c23-19-5-1-17(2-6-19)16-25-11-9-24(10-12-25)13-14-27-20-7-3-18-4-8-22(26)28-21(18)15-20/h1-8,15H,9-14,16H2
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n/an/a 5.01E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259632
PNG
(CHEMBL4063174)
Show SMILES O=c1ccc2ccc(OCCN3CCCCC3)cc2o1
Show InChI InChI=1S/C16H19NO3/c18-16-7-5-13-4-6-14(12-15(13)20-16)19-11-10-17-8-2-1-3-9-17/h4-7,12H,1-3,8-11H2
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n/an/a 5.49E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259617
PNG
(CHEMBL4091054)
Show SMILES Cc1cc(=O)oc2cc(OCCN3CCCCC3)ccc12
Show InChI InChI=1S/C17H21NO3/c1-13-11-17(19)21-16-12-14(5-6-15(13)16)20-10-9-18-7-3-2-4-8-18/h5-6,11-12H,2-4,7-10H2,1H3
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n/an/a 6.64E+4n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibitory constant against Dopamine transporter

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259597
PNG
(CHEMBL4105601)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C18H12BrNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibitory constant against Serotonin transporter

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259605
PNG
(CHEMBL4090150)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3Br)ccc12
Show InChI InChI=1S/C18H12BrNO3/c1-11-14-7-6-13(8-17(14)23-18(21)15(11)9-20)22-10-12-4-2-3-5-16(12)19/h2-8H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259603
PNG
(CHEMBL4087723)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C17H10BrF3O3/c18-11-3-1-10(2-4-11)9-23-12-5-6-13-14(17(19,20)21)8-16(22)24-15(13)7-12/h1-8H,9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259631
PNG
(CHEMBL4082300)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12
Show InChI InChI=1S/C18H12FNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259606
PNG
(CHEMBL4069084)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3Br)ccc12
Show InChI InChI=1S/C18H11Br2NO3/c1-10-14-5-4-13(7-17(14)24-18(22)15(10)8-21)23-9-11-2-3-12(19)6-16(11)20/h2-7H,9H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibitory constant against Serotonin transporter

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259629
PNG
(CHEMBL4094745)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H13ClO3/c1-11-14-8-7-13(9-15(14)21-17(19)16(11)18)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259625
PNG
(CHEMBL4093982)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C24H24F3NO3/c25-24(26,27)21-16-23(29)31-22-15-19(6-7-20(21)22)30-13-12-28-10-8-18(9-11-28)14-17-4-2-1-3-5-17/h1-7,15-16,18H,8-14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259630
PNG
(CHEMBL4079843)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C17H12BrClO3/c1-10-14-7-6-13(8-15(14)22-17(20)16(10)19)21-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259630
PNG
(CHEMBL4079843)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C17H12BrClO3/c1-10-14-7-6-13(8-15(14)22-17(20)16(10)19)21-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259595
PNG
(CHEMBL4097867)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C17H13BrO3/c1-11-8-17(19)21-16-9-14(6-7-15(11)16)20-10-12-2-4-13(18)5-3-12/h2-9H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Binding affinity against cathepsin L

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259627
PNG
(CHEMBL4104128)
Show SMILES Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C23H24BrClN2O3/c1-16-20-7-6-19(14-21(20)30-23(28)22(16)25)29-13-12-26-8-10-27(11-9-26)15-17-2-4-18(24)5-3-17/h2-7,14H,8-13,15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259595
PNG
(CHEMBL4097867)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C17H13BrO3/c1-11-8-17(19)21-16-9-14(6-7-15(11)16)20-10-12-2-4-13(18)5-3-12/h2-9H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibitory constant against Serotonin transporter

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259594
PNG
(CHEMBL4068321)
Show SMILES Brc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C16H11BrO3/c17-13-5-1-11(2-6-13)10-19-14-7-3-12-4-8-16(18)20-15(12)9-14/h1-9H,10H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259640
PNG
(CHEMBL4061479)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C23H22BrF3N2O3/c24-17-3-1-16(2-4-17)15-29-9-7-28(8-10-29)11-12-31-18-5-6-19-20(23(25,26)27)14-22(30)32-21(19)13-18/h1-6,13-14H,7-12,15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259634
PNG
(CHEMBL4066437)
Show SMILES Brc1ccc(CN2CCN(CCOc3ccc4ccc(=O)oc4c3)CC2)cc1
Show InChI InChI=1S/C22H23BrN2O3/c23-19-5-1-17(2-6-19)16-25-11-9-24(10-12-25)13-14-27-20-7-3-18-4-8-22(26)28-21(18)15-20/h1-8,15H,9-14,16H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259606
PNG
(CHEMBL4069084)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3Br)ccc12
Show InChI InChI=1S/C18H11Br2NO3/c1-10-14-5-4-13(7-17(14)24-18(22)15(10)8-21)23-9-11-2-3-12(19)6-16(11)20/h2-7H,9H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259604
PNG
(CHEMBL4060398)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C18H12ClNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259625
PNG
(CHEMBL4093982)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
Show InChI InChI=1S/C24H24F3NO3/c25-24(26,27)21-16-23(29)31-22-15-19(6-7-20(21)22)30-13-12-28-10-8-18(9-11-28)14-17-4-2-1-3-5-17/h1-7,15-16,18H,8-14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259604
PNG
(CHEMBL4060398)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C18H12ClNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259603
PNG
(CHEMBL4087723)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C17H10BrF3O3/c18-11-3-1-10(2-4-11)9-23-12-5-6-13-14(17(19,20)21)8-16(22)24-15(13)7-12/h1-8H,9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259631
PNG
(CHEMBL4082300)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12
Show InChI InChI=1S/C18H12FNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259640
PNG
(CHEMBL4061479)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(OCCN3CCN(Cc4ccc(Br)cc4)CC3)ccc12
Show InChI InChI=1S/C23H22BrF3N2O3/c24-17-3-1-16(2-4-17)15-29-9-7-28(8-10-29)11-12-31-18-5-6-19-20(23(25,26)27)14-22(30)32-21(19)13-18/h1-6,13-14H,7-12,15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259597
PNG
(CHEMBL4105601)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12
Show InChI InChI=1S/C18H12BrNO3/c1-11-15-7-6-14(8-17(15)23-18(21)16(11)9-20)22-10-12-2-4-13(19)5-3-12/h2-8H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259605
PNG
(CHEMBL4090150)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3Br)ccc12
Show InChI InChI=1S/C18H12BrNO3/c1-11-14-7-6-13(8-17(14)23-18(21)15(11)9-20)22-10-12-4-2-3-5-16(12)19/h2-8H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50259593
PNG
(CHEMBL4095676)
Show SMILES Cc1c(C#N)c(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C18H13NO3/c1-12-15-8-7-14(21-11-13-5-3-2-4-6-13)9-17(15)22-18(20)16(12)10-19/h2-9H,11H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibitory constant against Dopamine transporter

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50259594
PNG
(CHEMBL4068321)
Show SMILES Brc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C16H11BrO3/c17-13-5-1-11(2-6-13)10-19-14-7-3-12-4-8-16(18)20-15(12)9-14/h1-9H,10H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after ...

Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%