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Patent code USRE46024

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
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012918
PNG
(CHEMBL3261324 | USRE46024, 6)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(NCC(O)=O)cc2Cl)n[nH]c1=O
Show InChI InChI=1S/C15H15Cl2N3O4/c1-7(2)9-5-12(19-20-15(9)23)24-14-10(16)3-8(4-11(14)17)18-6-13(21)22/h3-5,7,18H,6H2,1-2H3,(H,20,23)(H,21,22)
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n/an/an/an/a 666n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


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More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012908
PNG
(CHEMBL3261334 | USRE46024, 22)
Show SMILES CC(C)c1cc(Cc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)nn(C)c1=O
Show InChI InChI=1S/C19H16Cl2N6O3/c1-9(2)12-4-10(24-26(3)18(12)29)5-13-14(20)6-11(7-15(13)21)27-19(30)23-17(28)16(8-22)25-27/h4,6-7,9H,5H2,1-3H3,(H,23,28,30)
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n/an/an/an/a 136n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012917
PNG
(CHEMBL3261327 | USRE46024, 15)
Show SMILES CC(C)c1cc(Cc2c(Br)cc(CC(O)=O)cc2Br)n[nH]c1=O
Show InChI InChI=1S/C16H16Br2N2O3/c1-8(2)11-6-10(19-20-16(11)23)7-12-13(17)3-9(4-14(12)18)5-15(21)22/h3-4,6,8H,5,7H2,1-2H3,(H,20,23)(H,21,22)
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n/an/an/an/a 601n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012912
PNG
(CHEMBL3261321 | USRE46024, 3)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)n[nH]c1=O
Show InChI InChI=1S/C15H14Br2N2O4/c1-7(2)9-6-12(18-19-15(9)22)23-14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)
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n/an/an/an/a 519n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012817
PNG
(CHEMBL3261330 | USRE46024, 19)
Show SMILES CC(C)c1cc(n[nH]c1=O)S(=O)(=O)c1c(Cl)cc(CC(O)=O)cc1Cl
Show InChI InChI=1S/C15H14Cl2N2O5S/c1-7(2)9-6-12(18-19-15(9)22)25(23,24)14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)
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n/an/an/an/a 6.98E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012915
PNG
(CHEMBL3261335 | USRE46024, 9)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)n[nH]c1=O
Show InChI InChI=1S/C16H13Cl2N5O4/c1-7(2)9-5-13(21-22-15(9)25)27-14-10(17)3-8(4-11(14)18)23-16(26)20-12(24)6-19-23/h3-7H,1-2H3,(H,22,25)(H,20,24,26)
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n/an/an/an/a 115n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012859
PNG
(CHEMBL3261319 | USRE46024, 2)
Show SMILES CC(C)c1cc(Oc2c(C)cc(CC(O)=O)cc2Cl)n[nH]c1=O
Show InChI InChI=1S/C16H17ClN2O4/c1-8(2)11-7-13(18-19-16(11)22)23-15-9(3)4-10(5-12(15)17)6-14(20)21/h4-5,7-8H,6H2,1-3H3,(H,19,22)(H,20,21)
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n/an/an/an/a 7.31E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012906
PNG
(CHEMBL3261323 | USRE46024, 10)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)nn(C)c1=O
Show InChI InChI=1S/C16H16Cl2N2O4/c1-8(2)10-7-13(19-20(3)16(10)23)24-15-11(17)4-9(5-12(15)18)6-14(21)22/h4-5,7-8H,6H2,1-3H3,(H,21,22)
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n/an/an/an/a 767n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012907
PNG
(CHEMBL3261336 | USRE46024, 13)
Show SMILES CC(C)c1cc(Cc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)n[nH]c1=O
Show InChI InChI=1S/C17H15Cl2N5O3/c1-8(2)11-3-9(22-23-16(11)26)4-12-13(18)5-10(6-14(12)19)24-17(27)21-15(25)7-20-24/h3,5-8H,4H2,1-2H3,(H,23,26)(H,21,25,27)
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n/an/an/an/a 92n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012913
PNG
(CHEMBL3261333 | USRE46024, 16)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)nn(C)c1=O
Show InChI InChI=1S/C18H14Cl2N6O4/c1-8(2)10-6-14(24-25(3)17(10)28)30-15-11(19)4-9(5-12(15)20)26-18(29)22-16(27)13(7-21)23-26/h4-6,8H,1-3H3,(H,22,27,29)
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n/an/an/an/a 66n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012916
PNG
(CHEMBL3261322 | USRE46024, 5)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)n[nH]c1=O
Show InChI InChI=1S/C16H16Br2N2O4/c1-8(2)10-7-13(19-20-16(10)23)24-15-11(17)5-9(6-12(15)18)3-4-14(21)22/h5-8H,3-4H2,1-2H3,(H,20,23)(H,21,22)
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n/an/an/an/a 699n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012905
PNG
(CHEMBL3261331 | USRE46024, 8)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O
Show InChI InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)
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n/an/an/an/a 192n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM237175
PNG
(USRE46024, 20)
Show SMILES CC(C)c1cc(n[nH]c1=O)S(=O)(=O)c1c(Cl)cc(cc1Cl)-n1nc(C#N)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H12Cl2N6O5S/c1-7(2)9-5-13(22-23-15(9)26)31(29,30)14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)
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n/an/an/an/a 7.04E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012902
PNG
(CHEMBL3261318 | USRE46024, 1)
Show SMILES CC(C)c1cc(Oc2c(C)cc(CC(O)=O)cc2C)n[nH]c1=O
Show InChI InChI=1S/C17H20N2O4/c1-9(2)13-8-14(18-19-17(13)22)23-16-10(3)5-12(6-11(16)4)7-15(20)21/h5-6,8-9H,7H2,1-4H3,(H,19,22)(H,20,21)
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n/an/an/an/a 7.75E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012901
PNG
(CHEMBL3261320 | USRE46024, 4)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)n[nH]c1=O
Show InChI InChI=1S/C15H14Cl2N2O4/c1-7(2)9-6-12(18-19-15(9)22)23-14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)
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n/an/an/an/a 2.33E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012911
PNG
(CHEMBL3261332 | USRE46024, 12)
Show SMILES CC(C)c1cc(Cc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O
Show InChI InChI=1S/C18H14Cl2N6O3/c1-8(2)11-3-9(23-24-16(11)27)4-12-13(19)5-10(6-14(12)20)26-18(29)22-17(28)15(7-21)25-26/h3,5-6,8H,4H2,1-2H3,(H,24,27)(H,22,28,29)
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n/an/an/an/a 133n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012903
PNG
(CHEMBL3261328 | USRE46024, 17)
Show SMILES CC(C)c1cc(Sc2c(Cl)cc(CC(O)=O)cc2Cl)n[nH]c1=O
Show InChI InChI=1S/C15H14Cl2N2O3S/c1-7(2)9-6-12(18-19-15(9)22)23-14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)
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n/an/an/an/a 2.04E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM237176
PNG
(USRE46024, 21)
Show SMILES CC(C)c1cc(n[nH]c1=O)S(=O)(=O)c1c(Cl)cc(cc1Cl)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C16H13Cl2N5O5S/c1-7(2)9-5-13(21-22-15(9)25)29(27,28)14-10(17)3-8(4-11(14)18)23-16(26)20-12(24)6-19-23/h3-7H,1-2H3,(H,22,25)(H,20,24,26)
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n/an/an/an/a 3.21E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM60964
PNG
(USRE46024, 7)
Show SMILES CC(C)C1=CC(Oc2c(Cl)cc(NC(=O)C(O)=O)cc2Cl)=NNC1
Show InChI InChI=1S/C15H15Cl2N3O4/c1-7(2)8-3-12(20-18-6-8)24-13-10(16)4-9(5-11(13)17)19-14(21)15(22)23/h3-5,7,18H,6H2,1-2H3,(H,19,21)(H,22,23)
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n/an/an/an/a 117n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM237173
PNG
(USRE46024, 11)
Show SMILES CC(C)n1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)ccc1=O
Show InChI InChI=1S/C16H15Br2NO4/c1-9(2)19-8-11(3-4-14(19)20)23-16-12(17)5-10(6-13(16)18)7-15(21)22/h3-6,8-9H,7H2,1-2H3,(H,21,22)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM237174
PNG
(USRE46024, 18)
Show SMILES CC(C)c1cc(n[nH]c1=O)S(=O)c1c(Cl)cc(CC(O)=O)cc1Cl
Show InChI InChI=1S/C15H14Cl2N2O4S/c1-7(2)9-6-12(18-19-15(9)22)24(23)14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)
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n/an/an/an/a 9.18E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


Citation and Details
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor Beta/ Retinoid X Receptor


(Homo sapiens (Human))
BDBM50012910
PNG
(CHEMBL3261326 | USRE46024, 14)
Show SMILES CC(C)c1cc(Cc2c(Cl)cc(CC(O)=O)cc2Cl)n[nH]c1=O
Show InChI InChI=1S/C16H16Cl2N2O3/c1-8(2)11-6-10(19-20-16(11)23)7-12-13(17)3-9(4-14(12)18)5-15(21)22/h3-4,6,8H,5,7H2,1-2H3,(H,20,23)(H,21,22)
PDB

KEGG

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PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/an/an/a 2.99E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...


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Ligand-Target Pair
* indicates data uncertainty>20%