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PubMed code 17123821

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
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199022
PNG
(CHEMBL224666 | N-[2-(2-chlorophenyl)-5,7-dihydroxy...)
Show SMILES COc1ccc(cc1)C(=O)Nc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClNO6/c1-30-13-8-6-12(7-9-13)23(29)25-21-18(28)10-16(26)20-17(27)11-19(31-22(20)21)14-4-2-3-5-15(14)24/h2-11,26,28H,1H3,(H,25,29)
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n/an/a 5.40E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199026
PNG
(CHEMBL224029 | N-[2-(2-chlorophenyl)-5,7-dihydroxy...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClNO5/c1-12-6-8-13(9-7-12)23(29)25-21-18(28)10-16(26)20-17(27)11-19(30-22(20)21)14-4-2-3-5-15(14)24/h2-11,26,28H,1H3,(H,25,29)
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199024
PNG
(CHEMBL224038 | N-[2-(2-chlorophenyl)-5,7-dihydroxy...)
Show SMILES Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2Cl)c1NC(=O)c1ccccc1
Show InChI InChI=1S/C22H14ClNO5/c23-14-9-5-4-8-13(14)18-11-16(26)19-15(25)10-17(27)20(21(19)29-18)24-22(28)12-6-2-1-3-7-12/h1-11,25,27H,(H,24,28)
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n/an/a 9.10E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199013
PNG
(3,5-dichloro-N-[2-(2-chlorophenyl)-5-hydroxy-4-oxo...)
Show SMILES Oc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c2oc(cc(=O)c12)-c1ccccc1Cl
Show InChI InChI=1S/C21H12Cl3NO6S/c22-10-7-13(24)20(28)18(8-10)32(29,30)25-14-5-6-15(26)19-16(27)9-17(31-21(14)19)11-3-1-2-4-12(11)23/h1-9,25-26,28H
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n/an/a 9.40E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199011
PNG
(CHEMBL389939 | N-[2-(2-chlorophenyl)-5-hydroxy-4-o...)
Show SMILES Oc1ccc(NS(=O)(=O)c2ccccc2)c2oc(cc(=O)c12)-c1ccccc1Cl
Show InChI InChI=1S/C21H14ClNO5S/c22-15-9-5-4-8-14(15)19-12-18(25)20-17(24)11-10-16(21(20)28-19)23-29(26,27)13-6-2-1-3-7-13/h1-12,23-24H
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n/an/a 1.78E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199021
PNG
(3,4-dichloro-N-[2-(2-chlorophenyl)-5-hydroxy-4-oxo...)
Show SMILES Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c2oc(cc(=O)c12)-c1ccccc1Cl
Show InChI InChI=1S/C22H12Cl3NO4/c23-13-4-2-1-3-12(13)19-10-18(28)20-17(27)8-7-16(21(20)30-19)26-22(29)11-5-6-14(24)15(25)9-11/h1-10,27H,(H,26,29)
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n/an/a 2.17E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199017
PNG
(CHEMBL224514 | N-[2-(2-chlorophenyl)-5-hydroxy-4-o...)
Show SMILES CS(=O)(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C16H12ClNO5S/c1-24(21,22)18-11-6-7-12(19)15-13(20)8-14(23-16(11)15)9-4-2-3-5-10(9)17/h2-8,18-19H,1H3
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n/an/a 2.19E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199016
PNG
(4-chloro-N-[2-(2-chlorophenyl)-5,7-dihydroxy-4-oxo...)
Show SMILES Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2Cl)c1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl2NO5/c23-12-7-5-11(6-8-12)22(29)25-20-17(28)9-15(26)19-16(27)10-18(30-21(19)20)13-3-1-2-4-14(13)24/h1-10,26,28H,(H,25,29)
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n/an/a 3.39E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199028
PNG
(CHEMBL388527 | N-[2-(2-chlorophenyl)-5-hydroxy-4-o...)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClNO5/c1-29-14-8-6-13(7-9-14)23(28)25-17-10-11-18(26)21-19(27)12-20(30-22(17)21)15-4-2-3-5-16(15)24/h2-12,26H,1H3,(H,25,28)
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n/an/a 3.83E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199018
PNG
((R)-{1-[2-(2-chlorophenyl)-5-hydroxy-4-oxo-4H-chro...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C29H27ClN2O6/c1-29(2,3)38-28(36)32-21(15-17-9-5-4-6-10-17)27(35)31-20-13-14-22(33)25-23(34)16-24(37-26(20)25)18-11-7-8-12-19(18)30/h4-14,16,21,33H,15H2,1-3H3,(H,31,35)(H,32,36)/t21-/m1/s1
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n/an/a 4.17E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199010
PNG
(4-chloro-N-[2-(2-chlorophenyl)-5-hydroxy-4-oxo-4H-...)
Show SMILES Oc1ccc(NC(=O)c2ccc(Cl)cc2)c2oc(cc(=O)c12)-c1ccccc1Cl
Show InChI InChI=1S/C22H13Cl2NO4/c23-13-7-5-12(6-8-13)22(28)25-16-9-10-17(26)20-18(27)11-19(29-21(16)20)14-3-1-2-4-15(14)24/h1-11,26H,(H,25,28)
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n/an/a 4.17E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199023
PNG
(2-(2-chlorophenyl)-5-hydroxy-8-pyrrolidin-1-ylchro...)
Show SMILES Oc1ccc(N2CCCC2)c2oc(cc(=O)c12)-c1ccccc1Cl
Show InChI InChI=1S/C19H16ClNO3/c20-13-6-2-1-5-12(13)17-11-16(23)18-15(22)8-7-14(19(18)24-17)21-9-3-4-10-21/h1-2,5-8,11,22H,3-4,9-10H2
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n/an/a 4.17E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199027
PNG
(CHEMBL224758 | sec-butyl 2-(2-chlorophenyl)-5-hydr...)
Show SMILES CCC(C)OC(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H18ClNO5/c1-3-11(2)26-20(25)22-14-8-9-15(23)18-16(24)10-17(27-19(14)18)12-6-4-5-7-13(12)21/h4-11,23H,3H2,1-2H3,(H,22,25)
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n/an/a 4.17E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199008
PNG
(2-(2-chlorophenyl)-5-hydroxy-8-piperidin-1-ylchrom...)
Show SMILES Oc1ccc(N2CCCCC2)c2oc(cc(=O)c12)-c1ccccc1Cl
Show InChI InChI=1S/C20H18ClNO3/c21-14-7-3-2-6-13(14)18-12-17(24)19-16(23)9-8-15(20(19)25-18)22-10-4-1-5-11-22/h2-3,6-9,12,23H,1,4-5,10-11H2
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n/an/a 4.17E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199015
PNG
((R)-{1-[2-(2-chlorophenyl)-5-hydroxy-4-oxo-4H-chro...)
Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C26H29ClN2O6/c1-14(2)12-18(29-25(33)35-26(3,4)5)24(32)28-17-10-11-19(30)22-20(31)13-21(34-23(17)22)15-8-6-7-9-16(15)27/h6-11,13-14,18,30H,12H2,1-5H3,(H,28,32)(H,29,33)/t18-/m1/s1
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n/an/a 4.17E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199007
PNG
((S)-{1-[2-(2-chlorophenyl)-5-hydroxy-4-oxo-4H-chro...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C26H29ClN2O6/c1-14(2)12-18(29-25(33)35-26(3,4)5)24(32)28-17-10-11-19(30)22-20(31)13-21(34-23(17)22)15-8-6-7-9-16(15)27/h6-11,13-14,18,30H,12H2,1-5H3,(H,28,32)(H,29,33)/t18-/m0/s1
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n/an/a 4.17E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199025
PNG
((S)-{1-[2-(2-chlorophenyl)-5-hydroxy-4-oxo-4H-chro...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C29H27ClN2O6/c1-29(2,3)38-28(36)32-21(15-17-9-5-4-6-10-17)27(35)31-20-13-14-22(33)25-23(34)16-24(37-26(20)25)18-11-7-8-12-19(18)30/h4-14,16,21,33H,15H2,1-3H3,(H,31,35)(H,32,36)/t21-/m0/s1
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n/an/a 4.17E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199020
PNG
((S)-(1-[2-(2-chlorophenyl)-5-hydroxy-4-oxo-4H-chro...)
Show SMILES C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O6/c1-12(25-22(30)32-23(2,3)4)21(29)26-15-9-10-16(27)19-17(28)11-18(31-20(15)19)13-7-5-6-8-14(13)24/h5-12,27H,1-4H3,(H,25,30)(H,26,29)/t12-/m0/s1
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n/an/a 4.17E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199014
PNG
(2-(2-chlorophenyl)-5-hydroxy-8-morpholin-4-ylchrom...)
Show SMILES Oc1ccc(N2CCOCC2)c2oc(cc(=O)c12)-c1ccccc1Cl
Show InChI InChI=1S/C19H16ClNO4/c20-13-4-2-1-3-12(13)17-11-16(23)18-15(22)6-5-14(19(18)25-17)21-7-9-24-10-8-21/h1-6,11,22H,7-10H2
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n/an/a 4.17E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50199006
PNG
(CHEMBL389004 | N-[2-(2-chlorophenyl)-5-hydroxy-4-o...)
Show SMILES Oc1ccc(NC(=O)c2ccccc2)c2oc(cc(=O)c12)-c1ccccc1Cl
Show InChI InChI=1S/C22H14ClNO4/c23-15-9-5-4-8-14(15)19-12-18(26)20-17(25)11-10-16(21(20)28-19)24-22(27)13-6-2-1-3-7-13/h1-12,25H,(H,24,27)
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n/an/a 4.17E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem 15: 702-13 (2006)


Article DOI: 10.1016/j.bmc.2006.10.063
BindingDB Entry DOI: 10.7270/Q2XK8F6Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%