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Compile Data Set for Download or QSAR

Found 22 hits of ph data with Target = 'Cyclin-dependent kinase 9'   
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
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM31099
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S)-3-hydroxy...)
Show SMILES CN1CCC([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-/m1/s1
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n/an/an/a 6.40E+3n/an/an/a7.423



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM5931
PNG
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
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n/an/an/a 7.60E+4n/an/an/a7.423



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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n/an/an/a 1.90E+5n/an/an/a7.423



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
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n/an/an/a 1.00E+5n/an/an/a7.423



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM6866
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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n/an/an/a 4.70E+5n/an/an/a7.423



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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n/an/an/a 3.00E+6n/an/an/a7.423



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106956
PNG
(US8592581, 7)
Show SMILES CC[C@H](Nc1nc(NCC2CC2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C17H28N6O/c1-5-13(11(4)24)20-17-21-15(18-8-12-6-7-12)14-16(22-17)23(9-19-14)10(2)3/h9-13,24H,5-8H2,1-4H3,(H2,18,20,21,22)/t11-,13+/m1/s1
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n/an/a 380n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106957
PNG
(US8592581, 8)
Show SMILES CC[C@H](Nc1nc(NC2CCC2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C17H28N6O/c1-5-13(11(4)24)20-17-21-15(19-12-7-6-8-12)14-16(22-17)23(9-18-14)10(2)3/h9-13,24H,5-8H2,1-4H3,(H2,19,20,21,22)/t11-,13+/m1/s1
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n/an/a 500n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106958
PNG
(US8592581, 9)
Show SMILES CC[C@H](Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-6-8-20-9-7-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
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n/an/a 610n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106959
PNG
(US8592581, 10)
Show SMILES CC[C@H](Nc1nc(NCc2cc(C)nc(C)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-23-18)12(2)3)22-10-16-8-13(4)24-14(5)9-16/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,22,25,26,27)/t15-,17+/m1/s1
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n/an/a 1.04E+3n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106960
PNG
(US8592581, 11)
Show SMILES CC[C@H](Nc1nc(NCc2ccc(nc2)C(F)(F)F)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H26F3N7O/c1-5-14(12(4)31)27-19-28-17(16-18(29-19)30(10-26-16)11(2)3)25-9-13-6-7-15(24-8-13)20(21,22)23/h6-8,10-12,14,31H,5,9H2,1-4H3,(H2,25,27,28,29)/t12-,14+/m1/s1
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n/an/a 250n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106961
PNG
(US8592581, 12)
Show SMILES CC[C@H](Nc1nc(NCc2cccc(C)n2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H29N7O/c1-6-16(14(5)28)24-20-25-18(21-10-15-9-7-8-13(4)23-15)17-19(26-20)27(11-22-17)12(2)3/h7-9,11-12,14,16,28H,6,10H2,1-5H3,(H2,21,24,25,26)/t14-,16+/m1/s1
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n/an/a 2.04E+3n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106962
PNG
(US8592581, 13)
Show SMILES CC[C@H](Nc1nc(NCc2ncccc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H29N7O/c1-6-15(14(5)28)24-20-25-18(22-10-16-13(4)8-7-9-21-16)17-19(26-20)27(11-23-17)12(2)3/h7-9,11-12,14-15,28H,6,10H2,1-5H3,(H2,22,24,25,26)/t14-,15+/m1/s1
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n/an/a 5.84E+3n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106963
PNG
(US8592581, 14)
Show SMILES C[C@@H](O)CNc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C17H23N7O/c1-11(2)24-10-21-14-15(19-9-13-5-4-6-18-8-13)22-17(23-16(14)24)20-7-12(3)25/h4-6,8,10-12,25H,7,9H2,1-3H3,(H2,19,20,22,23)/t12-/m1/s1
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n/an/a 6.53E+3n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106964
PNG
(US8592581, 15)
Show SMILES CC(C)n1cnc2c(NCc3cccnc3)nc(NCC(O)C(F)(F)F)nc12
Show InChI InChI=1S/C17H20F3N7O/c1-10(2)27-9-24-13-14(22-7-11-4-3-5-21-6-11)25-16(26-15(13)27)23-8-12(28)17(18,19)20/h3-6,9-10,12,28H,7-8H2,1-2H3,(H2,22,23,25,26)
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n/an/a 7.40E+3n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106955
PNG
(US8592581, 6)
Show SMILES CC[C@H](Nc1nc(NC2CC2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C16H26N6O/c1-5-12(10(4)23)19-16-20-14(18-11-6-7-11)13-15(21-16)22(8-17-13)9(2)3/h8-12,23H,5-7H2,1-4H3,(H2,18,19,20,21)/t10-,12+/m1/s1
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n/an/a 270n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106965
PNG
(US8592581, 16)
Show SMILES CCC(Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(F)(F)F
Show InChI InChI=1S/C19H24F3N7O/c1-4-13(15(30)19(20,21)22)26-18-27-16(24-9-12-6-5-7-23-8-12)14-17(28-18)29(10-25-14)11(2)3/h5-8,10-11,13,15,30H,4,9H2,1-3H3,(H2,24,26,27,28)
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n/an/a 2.14E+3n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106953
PNG
(US8592581, 4)
Show SMILES CC[C@H](Nc1nc(NCc2cccc(F)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H27FN6O/c1-5-16(13(4)28)24-20-25-18(22-10-14-7-6-8-15(21)9-14)17-19(26-20)27(11-23-17)12(2)3/h6-9,11-13,16,28H,5,10H2,1-4H3,(H2,22,24,25,26)/t13-,16+/m1/s1
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n/an/a 80n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106952
PNG
(US8592581, 3)
Show SMILES CC[C@H](Nc1nc(NCc2cccc(Cl)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H27ClN6O/c1-5-16(13(4)28)24-20-25-18(22-10-14-7-6-8-15(21)9-14)17-19(26-20)27(11-23-17)12(2)3/h6-9,11-13,16,28H,5,10H2,1-4H3,(H2,22,24,25,26)/t13-,16+/m1/s1
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n/an/a 60n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106951
PNG
(US8592581, 2)
Show SMILES CC[C@H](Nc1nc(NCc2ccc(C)nc2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H29N7O/c1-6-16(14(5)28)24-20-25-18(22-10-15-8-7-13(4)21-9-15)17-19(26-20)27(11-23-17)12(2)3/h7-9,11-12,14,16,28H,6,10H2,1-5H3,(H2,22,24,25,26)/t14-,16+/m1/s1
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n/an/a 3.63E+3n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106950
PNG
(US8592581, 1)
Show SMILES CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1
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n/an/a 100n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106954
PNG
(US8592581, 5)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(CC3CC3)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H27N7O/c1-3-16(13(2)28)24-20-25-18(22-10-15-5-4-8-21-9-15)17-19(26-20)27(12-23-17)11-14-6-7-14/h4-5,8-9,12-14,16,28H,3,6-7,10-11H2,1-2H3,(H2,22,24,25,26)/t13-,16+/m1/s1
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n/an/a 7.89E+3n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair