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Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'nisa' and Initial = 'm'   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



University of the Punjab

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 30...


Eur J Med Chem 138: 396-406 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.036
BindingDB Entry DOI: 10.7270/Q2KK9FDX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362477
PNG
(CHEMBL1940857)
Show SMILES Cc1ccc2cc(\C=C\C(=O)c3cc(Cl)sc3Cl)c(Cl)nc2c1
Show InChI InChI=1S/C17H10Cl3NOS/c1-9-2-3-10-7-11(16(19)21-13(10)6-9)4-5-14(22)12-8-15(18)23-17(12)20/h2-8H,1H3/b5-4+
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n/an/a 73.4n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362499
PNG
(CHEMBL1940846)
Show SMILES Cc1ccc2nc(Cl)c(\C=C\C(=O)c3cc(Cl)sc3Cl)cc2c1
Show InChI InChI=1S/C17H10Cl3NOS/c1-9-2-4-13-11(6-9)7-10(16(19)21-13)3-5-14(22)12-8-15(18)23-17(12)20/h2-8H,1H3/b5-3+
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n/an/a 81.4n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362475
PNG
(CHEMBL1940855)
Show SMILES Cc1ccc2cc(\C=C\C(=O)c3sccc3Cl)c(Cl)nc2c1
Show InChI InChI=1S/C17H11Cl2NOS/c1-10-2-3-11-9-12(17(19)20-14(11)8-10)4-5-15(21)16-13(18)6-7-22-16/h2-9H,1H3/b5-4+
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n/an/a 82.7n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362497
PNG
(CHEMBL1940844)
Show SMILES Cc1ccc2nc(Cl)c(\C=C\C(=O)c3sccc3Cl)cc2c1
Show InChI InChI=1S/C17H11Cl2NOS/c1-10-2-4-14-12(8-10)9-11(17(19)20-14)3-5-15(21)16-13(18)6-7-22-16/h2-9H,1H3/b5-3+
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n/an/a 87.1n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362476
PNG
(CHEMBL1940856)
Show SMILES Cc1ccc2cc(\C=C\C(=O)c3ccc(Cl)s3)c(Cl)nc2c1
Show InChI InChI=1S/C17H11Cl2NOS/c1-10-2-3-11-9-12(17(19)20-13(11)8-10)4-5-14(21)15-6-7-16(18)22-15/h2-9H,1H3/b5-4+
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n/an/a 92.2n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362479
PNG
(CHEMBL1940859)
Show SMILES Cc1ccc2cc(\C=C\C(=O)c3ccc(Br)s3)c(Cl)nc2c1
Show InChI InChI=1S/C17H11BrClNOS/c1-10-2-3-11-9-12(17(19)20-13(11)8-10)4-5-14(21)15-6-7-16(18)22-15/h2-9H,1H3/b5-4+
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n/an/a 104n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362498
PNG
(CHEMBL1940845)
Show SMILES Cc1ccc2nc(Cl)c(\C=C\C(=O)c3ccc(Cl)s3)cc2c1
Show InChI InChI=1S/C17H11Cl2NOS/c1-10-2-4-13-12(8-10)9-11(17(19)20-13)3-5-14(21)15-6-7-16(18)22-15/h2-9H,1H3/b5-3+
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n/an/a 107n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362478
PNG
(CHEMBL1940858)
Show SMILES Cc1ccc2cc(\C=C\C(=O)c3sccc3Br)c(Cl)nc2c1
Show InChI InChI=1S/C17H11BrClNOS/c1-10-2-3-11-9-12(17(19)20-14(11)8-10)4-5-15(21)16-13(18)6-7-22-16/h2-9H,1H3/b5-4+
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n/an/a 112n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362501
PNG
(CHEMBL1940848)
Show SMILES Cc1ccc2nc(Cl)c(\C=C\C(=O)c3ccc(Br)s3)cc2c1
Show InChI InChI=1S/C17H11BrClNOS/c1-10-2-4-13-12(8-10)9-11(17(19)20-13)3-5-14(21)15-6-7-16(18)22-15/h2-9H,1H3/b5-3+
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n/an/a 113n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362500
PNG
(CHEMBL1940847)
Show SMILES Cc1ccc2nc(Cl)c(\C=C\C(=O)c3sccc3Br)cc2c1
Show InChI InChI=1S/C17H11BrClNOS/c1-10-2-4-14-12(8-10)9-11(17(19)20-14)3-5-15(21)16-13(18)6-7-22-16/h2-9H,1H3/b5-3+
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n/an/a 129n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362506
PNG
(CHEMBL1940853)
Show SMILES Cc1ccc(s1)C(=O)\C=C\c1cc2ccc(C)cc2nc1Cl
Show InChI InChI=1S/C18H14ClNOS/c1-11-3-5-13-10-14(18(19)20-15(13)9-11)6-7-16(21)17-8-4-12(2)22-17/h3-10H,1-2H3/b7-6+
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n/an/a 130n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362486
PNG
(CHEMBL1940866)
Show SMILES Cc1cccc2cc(\C=C\C(=O)c3sccc3Cl)c(Cl)nc12
Show InChI InChI=1S/C17H11Cl2NOS/c1-10-3-2-4-11-9-12(17(19)20-15(10)11)5-6-14(21)16-13(18)7-8-22-16/h2-9H,1H3/b6-5+
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n/an/a 130n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362505
PNG
(CHEMBL1940852)
Show SMILES Cc1csc(c1)C(=O)\C=C\c1cc2ccc(C)cc2nc1Cl
Show InChI InChI=1S/C18H14ClNOS/c1-11-3-4-13-9-14(18(19)20-15(13)7-11)5-6-16(21)17-8-12(2)10-22-17/h3-10H,1-2H3/b6-5+
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n/an/a 139n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362480
PNG
(CHEMBL1940860)
Show SMILES Cc1ccc2cc(\C=C\C(=O)c3ccc(I)s3)c(Cl)nc2c1
Show InChI InChI=1S/C17H11ClINOS/c1-10-2-3-11-9-12(17(18)20-13(11)8-10)4-5-14(21)15-6-7-16(19)22-15/h2-9H,1H3/b5-4+
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n/an/a 148n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362502
PNG
(CHEMBL1940849)
Show SMILES Cc1ccc2nc(Cl)c(\C=C\C(=O)c3ccc(I)s3)cc2c1
Show InChI InChI=1S/C17H11ClINOS/c1-10-2-4-13-12(8-10)9-11(17(18)20-13)3-5-14(21)15-6-7-16(19)22-15/h2-9H,1H3/b5-3+
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n/an/a 154n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362504
PNG
(CHEMBL1940851)
Show SMILES Cc1ccsc1C(=O)C=Cc1cc2ccc(C)cc2nc1Cl |w:9.10|
Show InChI InChI=1S/C18H14ClNOS/c1-11-3-4-13-10-14(18(19)20-15(13)9-11)5-6-16(21)17-12(2)7-8-22-17/h3-10H,1-2H3
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n/an/a 157n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362494
PNG
(CHEMBL1938421)
Show SMILES Cc1csc(c1)C(=O)\C=C\c1cc2cc(C)ccc2nc1Cl
Show InChI InChI=1S/C18H14ClNOS/c1-11-3-5-15-14(7-11)9-13(18(19)20-15)4-6-16(21)17-8-12(2)10-22-17/h3-10H,1-2H3/b6-4+
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n/an/a 169n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362495
PNG
(CHEMBL1940842)
Show SMILES Cc1ccc(s1)C(=O)\C=C\c1cc2cc(C)ccc2nc1Cl
Show InChI InChI=1S/C18H14ClNOS/c1-11-3-6-15-14(9-11)10-13(18(19)20-15)5-7-16(21)17-8-4-12(2)22-17/h3-10H,1-2H3/b7-5+
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n/an/a 176n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362493
PNG
(CHEMBL1940841)
Show SMILES Cc1ccsc1C(=O)C=Cc1cc2cc(C)ccc2nc1Cl |w:9.10|
Show InChI InChI=1S/C18H14ClNOS/c1-11-3-5-15-14(9-11)10-13(18(19)20-15)4-6-16(21)17-12(2)7-8-22-17/h3-10H,1-2H3
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n/an/a 185n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362487
PNG
(CHEMBL1940867)
Show SMILES Cc1cccc2cc(\C=C\C(=O)c3ccc(Cl)s3)c(Cl)nc12
Show InChI InChI=1S/C17H11Cl2NOS/c1-10-3-2-4-11-9-12(17(19)20-16(10)11)5-6-13(21)14-7-8-15(18)22-14/h2-9H,1H3/b6-5+
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n/an/a 189n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362503
PNG
(CHEMBL1940850)
Show SMILES Cc1ccc2cc(\C=C\C(=O)c3ccsc3)c(Cl)nc2c1
Show InChI InChI=1S/C17H12ClNOS/c1-11-2-3-12-9-13(17(18)19-15(12)8-11)4-5-16(20)14-6-7-21-10-14/h2-10H,1H3/b5-4+
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n/an/a 208n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362483
PNG
(CHEMBL1940863)
Show SMILES Cc1csc(c1)C(=O)\C=C\c1cc2cccc(C)c2nc1Cl
Show InChI InChI=1S/C18H14ClNOS/c1-11-8-16(22-10-11)15(21)7-6-14-9-13-5-3-4-12(2)17(13)20-18(14)19/h3-10H,1-2H3/b7-6+
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n/an/a 233n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362484
PNG
(CHEMBL1940864)
Show SMILES Cc1ccc(s1)C(=O)\C=C\c1cc2cccc(C)c2nc1Cl
Show InChI InChI=1S/C18H14ClNOS/c1-11-4-3-5-13-10-14(18(19)20-17(11)13)7-8-15(21)16-9-6-12(2)22-16/h3-10H,1-2H3/b8-7+
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n/an/a 262n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362482
PNG
(CHEMBL1940862)
Show SMILES Cc1ccsc1C(=O)C=Cc1cc2cccc(C)c2nc1Cl |w:9.10|
Show InChI InChI=1S/C18H14ClNOS/c1-11-4-3-5-13-10-14(18(19)20-16(11)13)6-7-15(21)17-12(2)8-9-22-17/h3-10H,1-2H3
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n/an/a 267n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362492
PNG
(CHEMBL1940718)
Show SMILES Cc1ccc2nc(Cl)c(\C=C\C(=O)c3ccsc3)cc2c1
Show InChI InChI=1S/C17H12ClNOS/c1-11-2-4-15-14(8-11)9-12(17(18)19-15)3-5-16(20)13-6-7-21-10-13/h2-10H,1H3/b5-3+
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n/an/a 287n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362489
PNG
(CHEMBL1940869)
Show SMILES Cc1cccc2cc(\C=C\C(=O)c3sccc3Br)c(Cl)nc12
Show InChI InChI=1S/C17H11BrClNOS/c1-10-3-2-4-11-9-12(17(19)20-15(10)11)5-6-14(21)16-13(18)7-8-22-16/h2-9H,1H3/b6-5+
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n/an/a 313n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362488
PNG
(CHEMBL1940868)
Show SMILES Cc1cccc2cc(\C=C\C(=O)c3cc(Cl)sc3Cl)c(Cl)nc12
Show InChI InChI=1S/C17H10Cl3NOS/c1-9-3-2-4-10-7-11(16(19)21-15(9)10)5-6-13(22)12-8-14(18)23-17(12)20/h2-8H,1H3/b6-5+
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n/an/a 358n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362490
PNG
(CHEMBL1940870)
Show SMILES Cc1cccc2cc(\C=C\C(=O)c3ccc(Br)s3)c(Cl)nc12
Show InChI InChI=1S/C17H11BrClNOS/c1-10-3-2-4-11-9-12(17(19)20-16(10)11)5-6-13(21)14-7-8-15(18)22-14/h2-9H,1H3/b6-5+
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n/an/a 367n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362481
PNG
(CHEMBL1940861)
Show SMILES Cc1cccc2cc(\C=C\C(=O)c3ccsc3)c(Cl)nc12
Show InChI InChI=1S/C17H12ClNOS/c1-11-3-2-4-12-9-13(17(18)19-16(11)12)5-6-15(20)14-7-8-21-10-14/h2-10H,1H3/b6-5+
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n/an/a 389n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362496
PNG
(CHEMBL1940843)
Show SMILES Cc1cc(C(=O)C=Cc2cc3cc(C)ccc3nc2Cl)c(C)s1 |w:7.7|
Show InChI InChI=1S/C19H16ClNOS/c1-11-4-6-17-15(8-11)10-14(19(20)21-17)5-7-18(22)16-9-12(2)23-13(16)3/h4-10H,1-3H3
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n/an/a 453n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362491
PNG
(CHEMBL1940871)
Show SMILES Cc1cccc2cc(\C=C\C(=O)c3ccc(I)s3)c(Cl)nc12
Show InChI InChI=1S/C17H11ClINOS/c1-10-3-2-4-11-9-12(17(18)20-16(10)11)5-6-13(21)14-7-8-15(19)22-14/h2-9H,1H3/b6-5+
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n/an/a 482n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362474
PNG
(CHEMBL1940854)
Show SMILES Cc1cc(C(=O)C=Cc2cc3ccc(C)cc3nc2Cl)c(C)s1 |w:7.7|
Show InChI InChI=1S/C19H16ClNOS/c1-11-4-5-14-10-15(19(20)21-17(14)8-11)6-7-18(22)16-9-12(2)23-13(16)3/h4-10H,1-3H3
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n/an/a 561n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 850n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 3...


Eur J Med Chem 138: 396-406 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.036
BindingDB Entry DOI: 10.7270/Q2KK9FDX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362485
PNG
(CHEMBL1940865)
Show SMILES Cc1cc(C(=O)C=Cc2cc3cccc(C)c3nc2Cl)c(C)s1 |w:7.7|
Show InChI InChI=1S/C19H16ClNOS/c1-11-5-4-6-14-10-15(19(20)21-18(11)14)7-8-17(22)16-9-12(2)23-13(16)3/h4-10H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay


Bioorg Med Chem Lett 22: 942-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.017
BindingDB Entry DOI: 10.7270/Q2DV1K9D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50456491
PNG
(CHEMBL4206917)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C(=O)NNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C27H27ClFN3O3/c1-32(2)14-4-13-27(21-8-10-23(29)11-9-21)24-12-7-19(15-20(24)17-35-27)26(34)31-30-25(33)18-5-3-6-22(28)16-18/h3,5-12,15-16H,4,13-14,17H2,1-2H3,(H,30,33)(H,31,34)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of the Punjab

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 30...


Eur J Med Chem 138: 396-406 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.036
BindingDB Entry DOI: 10.7270/Q2KK9FDX
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50362536
PNG
(CHEMBL1941013)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H19N3O/c30-25(21-15-13-20(14-16-21)19-8-2-1-3-9-19)18-29-24-12-5-4-10-22(24)28-26(29)23-11-6-7-17-27-23/h1-17H,18H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis


Bioorg Med Chem Lett 22: 1282-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.018
BindingDB Entry DOI: 10.7270/Q2WS8TPJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456492
PNG
(CHEMBL4211286)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C(=O)NNC(=O)c1ccccc1Br)c1ccc(F)cc1
Show InChI InChI=1S/C27H27BrFN3O3/c1-32(2)15-5-14-27(20-9-11-21(29)12-10-20)23-13-8-18(16-19(23)17-35-27)25(33)30-31-26(34)22-6-3-4-7-24(22)28/h3-4,6-13,16H,5,14-15,17H2,1-2H3,(H,30,33)(H,31,34)
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n/an/a 2.11E+3n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 3...


Eur J Med Chem 138: 396-406 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.036
BindingDB Entry DOI: 10.7270/Q2KK9FDX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456491
PNG
(CHEMBL4206917)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C(=O)NNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C27H27ClFN3O3/c1-32(2)14-4-13-27(21-8-10-23(29)11-9-21)24-12-7-19(15-20(24)17-35-27)26(34)31-30-25(33)18-5-3-6-22(28)16-18/h3,5-12,15-16H,4,13-14,17H2,1-2H3,(H,30,33)(H,31,34)
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 3...


Eur J Med Chem 138: 396-406 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.036
BindingDB Entry DOI: 10.7270/Q2KK9FDX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456479
PNG
(CHEMBL4203093)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C(=O)NNC(=O)c1ccc(I)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H27FIN3O3/c1-32(2)15-3-14-27(21-7-9-22(28)10-8-21)24-13-6-19(16-20(24)17-35-27)26(34)31-30-25(33)18-4-11-23(29)12-5-18/h4-13,16H,3,14-15,17H2,1-2H3,(H,30,33)(H,31,34)
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n/an/a 5.88E+3n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 3...


Eur J Med Chem 138: 396-406 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.036
BindingDB Entry DOI: 10.7270/Q2KK9FDX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456487
PNG
(CHEMBL4203958)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C(=O)NNC(=O)c1ccc(N)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H29FN4O3/c1-32(2)15-3-14-27(21-7-9-22(28)10-8-21)24-13-6-19(16-20(24)17-35-27)26(34)31-30-25(33)18-4-11-23(29)12-5-18/h4-13,16H,3,14-15,17,29H2,1-2H3,(H,30,33)(H,31,34)
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n/an/a 5.98E+3n/an/an/an/an/an/a



University of the Punjab

Curated by ChEMBL


Assay Description
Inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 3...


Eur J Med Chem 138: 396-406 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.036
BindingDB Entry DOI: 10.7270/Q2KK9FDX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50456474
PNG
(CHEMBL4211808)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C(=O)NNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H27ClFN3O3/c1-32(2)15-3-14-27(21-7-11-23(29)12-8-21)24-13-6-19(16-20(24)17-35-27)26(34)31-30-25(33)18-4-9-22(28)10-5-18/h4-13,16H,3,14-15,17H2,1-2H3,(H,30,33)(H,31,34)
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n/an/a 6.71E+3n/an/an/an/an/an/a



University of the Punjab

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 30...


Eur J Med Chem 138: 396-406 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.036
BindingDB Entry DOI: 10.7270/Q2KK9FDX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50456492
PNG
(CHEMBL4211286)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C(=O)NNC(=O)c1ccccc1Br)c1ccc(F)cc1
Show InChI InChI=1S/C27H27BrFN3O3/c1-32(2)15-5-14-27(20-9-11-21(29)12-10-20)23-13-8-18(16-19(23)17-35-27)25(33)30-31-26(34)22-6-3-4-7-24(22)28/h3-4,6-13,16H,5,14-15,17H2,1-2H3,(H,30,33)(H,31,34)
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n/an/a 7.81E+3n/an/an/an/an/an/a



University of the Punjab

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 30...


Eur J Med Chem 138: 396-406 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.036
BindingDB Entry DOI: 10.7270/Q2KK9FDX
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50362535
PNG
(CHEMBL1941012)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-19(15-8-2-1-3-9-15)14-23-18-12-5-4-10-16(18)22-20(23)17-11-6-7-13-21-17/h1-13H,14H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis


Bioorg Med Chem Lett 22: 1282-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.018
BindingDB Entry DOI: 10.7270/Q2WS8TPJ
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50362533
PNG
(CHEMBL1941010)
Show SMILES Fc1ccc(cc1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H14FN3O/c21-15-10-8-14(9-11-15)19(25)13-24-18-7-2-1-5-16(18)23-20(24)17-6-3-4-12-22-17/h1-12H,13H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis


Bioorg Med Chem Lett 22: 1282-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.018
BindingDB Entry DOI: 10.7270/Q2WS8TPJ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50362537
PNG
(CHEMBL1941014)
Show SMILES COc1ccc(cc1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H17N3O2/c1-26-16-11-9-15(10-12-16)20(25)14-24-19-8-3-2-6-17(19)23-21(24)18-7-4-5-13-22-18/h2-13H,14H2,1H3
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n/an/a 1.42E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis


Bioorg Med Chem Lett 22: 1282-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.018
BindingDB Entry DOI: 10.7270/Q2WS8TPJ
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50362536
PNG
(CHEMBL1941013)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H19N3O/c30-25(21-15-13-20(14-16-21)19-8-2-1-3-9-19)18-29-24-12-5-4-10-22(24)28-26(29)23-11-6-7-17-27-23/h1-17H,18H2
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n/an/a 1.47E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis


Bioorg Med Chem Lett 22: 1282-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.018
BindingDB Entry DOI: 10.7270/Q2WS8TPJ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50362532
PNG
(CHEMBL1941009)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H14N4O3/c25-19(14-8-10-15(11-9-14)24(26)27)13-23-18-7-2-1-5-16(18)22-20(23)17-6-3-4-12-21-17/h1-12H,13H2
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n/an/a 1.78E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis


Bioorg Med Chem Lett 22: 1282-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.018
BindingDB Entry DOI: 10.7270/Q2WS8TPJ
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50362529
PNG
(CHEMBL1941006)
Show SMILES Oc1ccc(cc1O)C(=O)Cn1c(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H15N3O3/c24-17-9-8-13(11-18(17)25)19(26)12-23-16-7-2-1-5-14(16)22-20(23)15-6-3-4-10-21-15/h1-11,24-25H,12H2
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n/an/a 1.96E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis


Bioorg Med Chem Lett 22: 1282-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.018
BindingDB Entry DOI: 10.7270/Q2WS8TPJ
More data for this
Ligand-Target Pair
Plasmepsin II


(Plasmodium falciparum)
BDBM50362528
PNG
(CHEMBL1941005)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H14N4O3/c25-19(14-6-5-7-15(12-14)24(26)27)13-23-18-10-2-1-8-16(18)22-20(23)17-9-3-4-11-21-17/h1-12H,13H2
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n/an/a 2.04E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis


Bioorg Med Chem Lett 22: 1282-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.018
BindingDB Entry DOI: 10.7270/Q2WS8TPJ
More data for this
Ligand-Target Pair
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