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PubMed code 11384235

Compile data set for download or QSAR
Found 21 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
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50368315
PNG
(PROSTRATIN)
Show SMILES C[C@@H]1C[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |r,t:10,18|
Show InChI InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3/t12-,15+,16-,17?,20-,21+,22-/m1/s1
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4.80n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100125
PNG
(3-Isopropyl-4-methyl-pent-2-enoic acid 3-hydroxy-2...)
Show SMILES [#6]-[#6](-[#6])-[#6](-[#6]-[#6](=O)-[#8]-[#6@@H](-[#6]-[#8])-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6]
Show InChI InChI=1S/C21H38O5/c1-13(2)18(14(3)4)9-20(23)25-12-17(11-22)26-21(24)10-19(15(5)6)16(7)8/h9,13-17,19,22H,10-12H2,1-8H3/t17-/m0/s1
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24.6n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50087241
PNG
(3-Isopropyl-4-methyl-pentanoic acid (S)-1-hydroxym...)
Show SMILES CC(C)C(CC(=O)OC[C@H](CO)OC(=O)CC(C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C21H40O5/c1-13(2)18(14(3)4)9-20(23)25-12-17(11-22)26-21(24)10-19(15(5)6)16(7)8/h13-19,22H,9-12H2,1-8H3/t17-/m0/s1
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28.6n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100126
PNG
(3-Isopropyl-4-methyl-pent-2-enoic acid 1-hydroxyme...)
Show SMILES [#6]-[#6](-[#6])-[#6](-[#6]-[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8])-[#8]-[#6](=O)\[#6]=[#6](\[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6]
Show InChI InChI=1S/C21H38O5/c1-13(2)18(14(3)4)9-20(23)25-12-17(11-22)26-21(24)10-19(15(5)6)16(7)8/h10,13-18,22H,9,11-12H2,1-8H3/t17-/m0/s1
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31.1n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50015677
PNG
((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...)
Show SMILES CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC |r|
Show InChI InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1
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33n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100129
PNG
(3-Isopropyl-4-methyl-pentanoic acid 3-hydroxy-2-(3...)
Show SMILES [#6]-[#6](-[#6])-[#6](-[#6]-[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8])-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])-[#6]
Show InChI InChI=1S/C17H30O5/c1-11(2)7-17(20)22-14(9-18)10-21-16(19)8-15(12(3)4)13(5)6/h7,12-15,18H,8-10H2,1-6H3/t14-/m0/s1
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39.9n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100122
PNG
(3-Isopropyl-4-methyl-pent-2-enoic acid 1-hydroxyme...)
Show SMILES [#6]-[#6](-[#6])-[#6](=[#6]/[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8])-[#8]-[#6](=O)\[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6])\[#6](-[#6])-[#6]
Show InChI InChI=1S/C21H36O5/c1-13(2)18(14(3)4)9-20(23)25-12-17(11-22)26-21(24)10-19(15(5)6)16(7)8/h9-10,13-17,22H,11-12H2,1-8H3/t17-/m0/s1
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44.5n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100118
PNG
(CHEMBL59422 | Octadec-9-enoic acid 2-acetoxy-3-hyd...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](CO)OC(C)=O
Show InChI InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3/b11-10+/t22-/m0/s1
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50.4n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100127
PNG
(3-Isopropyl-4-methyl-pent-2-enoic acid 1-hydroxyme...)
Show SMILES [#6]-[#6](-[#6])-[#6](=[#6]/[#6](=O)-[#8]-[#6@@H](-[#6]-[#8])-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6])\[#6](-[#6])-[#6]
Show InChI InChI=1S/C17H28O5/c1-11(2)7-16(19)21-10-14(9-18)22-17(20)8-15(12(3)4)13(5)6/h7-8,12-14,18H,9-10H2,1-6H3/t14-/m0/s1
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68.3n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100123
PNG
(3-Isopropyl-4-methyl-pentanoic acid 3-hydroxy-2-(3...)
Show SMILES CC(C)CC(=O)O[C@@H](CO)COC(=O)CC(C(C)C)C(C)C
Show InChI InChI=1S/C17H32O5/c1-11(2)7-17(20)22-14(9-18)10-21-16(19)8-15(12(3)4)13(5)6/h11-15,18H,7-10H2,1-6H3/t14-/m0/s1
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71n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100119
PNG
(3-Isopropyl-4-methyl-pent-2-enoic acid 3-hydroxy-2...)
Show SMILES [#6]-[#6](-[#6])-[#6](=[#6]/[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8])-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6])\[#6](-[#6])-[#6]
Show InChI InChI=1S/C17H28O5/c1-11(2)7-17(20)22-14(9-18)10-21-16(19)8-15(12(3)4)13(5)6/h7-8,12-14,18H,9-10H2,1-6H3/t14-/m0/s1
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73n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100115
PNG
(3-Isopropyl-4-methyl-pentanoic acid 1-hydroxymethy...)
Show SMILES CC(C)CC(=O)OC[C@H](CO)OC(=O)CC(C(C)C)C(C)C
Show InChI InChI=1S/C17H32O5/c1-11(2)7-16(19)21-10-14(9-18)22-17(20)8-15(12(3)4)13(5)6/h11-15,18H,7-10H2,1-6H3/t14-/m0/s1
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74.9n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50087240
PNG
((E)-Octadec-9-enoic acid (S)-1-hydroxymethyl-2-((E...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C\CCCCCCCC
Show InChI InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17+,20-18+/t37-/m0/s1
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87.2n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100117
PNG
(3-Isopropyl-4-methyl-pent-2-enoic acid 3-hydroxy-2...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#8]-[#6@@H](-[#6]-[#8])-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6]
Show InChI InChI=1S/C17H30O5/c1-11(2)7-17(20)22-14(9-18)10-21-16(19)8-15(12(3)4)13(5)6/h8,11-14,18H,7,9-10H2,1-6H3/t14-/m0/s1
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110n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100120
PNG
(3-Isopropyl-4-methyl-pentanoic acid 1-hydroxymethy...)
Show SMILES [#6]-[#6](-[#6])-[#6](-[#6]-[#6](=O)-[#8]-[#6@@H](-[#6]-[#8])-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-[#6](-[#6])-[#6]
Show InChI InChI=1S/C17H30O5/c1-11(2)7-16(19)21-10-14(9-18)22-17(20)8-15(12(3)4)13(5)6/h7,12-15,18H,8-10H2,1-6H3/t14-/m0/s1
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154n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100121
PNG
(3-Isopropyl-4-methyl-pent-2-enoic acid 1-hydroxyme...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8])-[#8]-[#6](=O)\[#6]=[#6](\[#6](-[#6])-[#6])-[#6](-[#6])-[#6]
Show InChI InChI=1S/C17H30O5/c1-11(2)7-16(19)21-10-14(9-18)22-17(20)8-15(12(3)4)13(5)6/h8,11-14,18H,7,9-10H2,1-6H3/t14-/m0/s1
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330n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100116
PNG
(3-Methyl-but-2-enoic acid 1-hydroxymethyl-2-(3-met...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8])-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C13H22O5/c1-9(2)5-12(15)17-8-11(7-14)18-13(16)6-10(3)4/h6,9,11,14H,5,7-8H2,1-4H3/t11-/m0/s1
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1.05E+3n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100128
PNG
(3-Methyl-butyric acid 1-hydroxymethyl-2-(3-methyl-...)
Show SMILES CC(C)CC(=O)OC[C@H](CO)OC(=O)CC(C)C
Show InChI InChI=1S/C13H24O5/c1-9(2)5-12(15)17-8-11(7-14)18-13(16)6-10(3)4/h9-11,14H,5-8H2,1-4H3/t11-/m0/s1
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1.41E+3n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100124
PNG
(3-Methyl-but-2-enoic acid 3-hydroxy-2-(3-methyl-bu...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#8]-[#6@@H](-[#6]-[#8])-[#6]-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C13H22O5/c1-9(2)5-12(15)17-8-11(7-14)18-13(16)6-10(3)4/h5,10-11,14H,6-8H2,1-4H3/t11-/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50100113
PNG
(3-Methyl-but-2-enoic acid 1-hydroxymethyl-2-(3-met...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6]-[#6@H](-[#6]-[#8])-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C13H20O5/c1-9(2)5-12(15)17-8-11(7-14)18-13(16)6-10(3)4/h5-6,11,14H,7-8H2,1-4H3/t11-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%