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PubMed code 22204908

Compile data set for download or QSAR
Found 22 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
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
Plasmepsin 2


(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 2


(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 2


(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 2


(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 2


(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
Cathepsin D


(Homo sapiens (human))
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 2.12E+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 2


(Plasmodium falciparum)
BDBM50362530
PNG
(CHEMBL1941007)
Show SMILES Clc1ccc(cc1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H14ClN3O/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 2.12E+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))
BDBM50362538
PNG
(CHEMBL1941015)
Show SMILES COc1ccc(OC)c(c1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H19N3O3/c1-27-15-10-11-21(28-2)16(13-15)20(26)14-25-19-9-4-3-7-17(19)24-22(25)18-8-5-6-12-23-18/h3-13H,14H2,1-2H3
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n/an/a 2.12E+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
Cathepsin D


(Homo sapiens (human))
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 2.85E+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 2


(Plasmodium falciparum)
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 3.05E+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 2


(Plasmodium falciparum)
BDBM50362531
PNG
(CHEMBL1941008)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)Cn1c(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H14N4O3/c25-19(14-7-1-3-10-17(14)24(26)27)13-23-18-11-4-2-8-15(18)22-20(23)16-9-5-6-12-21-16/h1-12H,13H2
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n/an/a 3.06E+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))
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 3.19E+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
Cathepsin D


(Homo sapiens (human))
BDBM50362530
PNG
(CHEMBL1941007)
Show SMILES Clc1ccc(cc1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H14ClN3O/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 3.19E+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 2


(Plasmodium falciparum)
BDBM50362538
PNG
(CHEMBL1941015)
Show SMILES COc1ccc(OC)c(c1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H19N3O3/c1-27-15-10-11-21(28-2)16(13-15)20(26)14-25-19-9-4-3-7-17(19)24-22(25)18-8-5-6-12-23-18/h3-13H,14H2,1-2H3
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n/an/a 3.40E+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 2


(Plasmodium falciparum)
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 3.77E+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))
BDBM50362531
PNG
(CHEMBL1941008)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)Cn1c(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H14N4O3/c25-19(14-7-1-3-10-17(14)24(26)27)13-23-18-11-4-2-8-15(18)22-20(23)16-9-5-6-12-21-16/h1-12H,13H2
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n/an/a 3.92E+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
Cathepsin D


(Homo sapiens (human))
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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Article
PubMed
n/an/a 3.92E+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
Cathepsin D


(Homo sapiens (human))
BDBM50362534
PNG
(CHEMBL1941011)
Show SMILES Fc1ccc(C(=O)Cn2c(nc3ccccc23)-c2ccccn2)c(F)c1
Show InChI InChI=1S/C20H13F2N3O/c21-13-8-9-14(15(22)11-13)19(26)12-25-18-7-2-1-5-16(18)24-20(25)17-6-3-4-10-23-17/h1-11H,12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.45E+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 2


(Plasmodium falciparum)
BDBM50362534
PNG
(CHEMBL1941011)
Show SMILES Fc1ccc(C(=O)Cn2c(nc3ccccc23)-c2ccccn2)c(F)c1
Show InChI InChI=1S/C20H13F2N3O/c21-13-8-9-14(15(22)11-13)19(26)12-25-18-7-2-1-5-16(18)24-20(25)17-6-3-4-10-23-17/h1-11H,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+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
* indicates data uncertainty>20%