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Compile Data Set for Download or QSAR

Found 637 hits Enz. Inhib. hit(s) with Target = 'CDK2/Cyclin A/Cyclin A1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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))
BDBM50425006
PNG
(CHEMBL2312187)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N
Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-3-5-12(6-4-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
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0.200n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431338
PNG
(CHEMBL2348844)
Show SMILES CNc1ncc(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C14H14N6O2S2/c1-16-14-18-8-12(23-14)11-6-7-17-13(20-11)19-9-2-4-10(5-3-9)24(15,21)22/h2-8H,1H3,(H,16,18)(H2,15,21,22)(H,17,19,20)
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1n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50425011
PNG
(CHEMBL2312182)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1C#N
Show InChI InChI=1S/C16H13N7O2S/c1-9-14(26-16(18-2)20-9)13-10(7-17)8-19-15(22-13)21-11-4-3-5-12(6-11)23(24)25/h3-6,8H,1-2H3,(H,18,20)(H,19,21,22)
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1n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50425011
PNG
(CHEMBL2312182)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1C#N
Show InChI InChI=1S/C16H13N7O2S/c1-9-14(26-16(18-2)20-9)13-10(7-17)8-19-15(22-13)21-11-4-3-5-12(6-11)23(24)25/h3-6,8H,1-2H3,(H,18,20)(H,19,21,22)
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1n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431339
PNG
(CHEMBL2348843)
Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N6O2S2/c1-20-14-24-12(15(16,17)18)11(27-14)10-6-7-21-13(23-10)22-8-2-4-9(5-3-8)28(19,25)26/h2-7H,1H3,(H,20,24)(H2,19,25,26)(H,21,22,23)
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1.5n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431336
PNG
(CHEMBL2348846)
Show SMILES CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H18N6O2S2/c1-19-17-23-14(10-5-6-10)15(26-17)13-7-8-20-16(22-13)21-11-3-2-4-12(9-11)27(18,24)25/h2-4,7-10H,5-6H2,1H3,(H,19,23)(H2,18,24,25)(H,20,21,22)
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2n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431340
PNG
(CHEMBL2348842)
Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N6O2S2/c1-20-14-24-12(15(16,17)18)11(27-14)10-5-6-21-13(23-10)22-8-3-2-4-9(7-8)28(19,25)26/h2-7H,1H3,(H,20,24)(H2,19,25,26)(H,21,22,23)
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2n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50425003
PNG
(CHEMBL2312190)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(O)cc2)ncc1C#N
Show InChI InChI=1S/C16H14N6OS/c1-9-14(24-16(18-2)20-9)13-10(7-17)8-19-15(22-13)21-11-3-5-12(23)6-4-11/h3-6,8,23H,1-2H3,(H,18,20)(H,19,21,22)
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3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50425007
PNG
(CHEMBL2312186)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C20H21N7O3S2/c1-13-18(31-20(22-2)24-13)17-14(11-21)12-23-19(26-17)25-15-3-5-16(6-4-15)32(28,29)27-7-9-30-10-8-27/h3-6,12H,7-10H2,1-2H3,(H,22,24)(H,23,25,26)
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3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431363
PNG
(CHEMBL46429)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H14N6O2S/c1-9-13(24-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(8-10)21(22)23/h3-8H,1-2H3,(H,16,18)(H,17,19,20)
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3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431360
PNG
(CHEMBL2347597)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
Show InChI InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
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3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
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+/m1/s1
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4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM81430
PNG
(CDK Inhibitor, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)
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4n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50425010
PNG
(CHEMBL2312183)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C#N
Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-4-3-5-12(6-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
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4n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50425010
PNG
(CHEMBL2312183)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C#N
Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-4-3-5-12(6-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
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4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431337
PNG
(CHEMBL2348845)
Show SMILES CNc1ncc(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C14H14N6O2S2/c1-16-14-18-8-12(23-14)11-5-6-17-13(20-11)19-9-3-2-4-10(7-9)24(15,21)22/h2-8H,1H3,(H,16,18)(H2,15,21,22)(H,17,19,20)
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5n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431359
PNG
(CHEMBL2348637)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1Cl
Show InChI InChI=1S/C15H15ClN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
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10n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50425005
PNG
(CHEMBL2312188)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(O)c2)ncc1C#N
Show InChI InChI=1S/C16H14N6OS/c1-9-14(24-16(18-2)20-9)13-10(7-17)8-19-15(22-13)21-11-4-3-5-12(23)6-11/h3-6,8,23H,1-2H3,(H,18,20)(H,19,21,22)
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12n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431335
PNG
(CHEMBL2348847)
Show SMILES CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H18N6O2S2/c1-19-17-23-14(10-2-3-10)15(26-17)13-8-9-20-16(22-13)21-11-4-6-12(7-5-11)27(18,24)25/h4-10H,2-3H2,1H3,(H,19,23)(H2,18,24,25)(H,20,21,22)
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13n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431350
PNG
(CHEMBL2348647)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C19H22FN7S/c1-12-17(28-19(21-2)24-12)16-15(20)11-23-18(26-16)25-13-4-3-5-14(10-13)27-8-6-22-7-9-27/h3-5,10-11,22H,6-9H2,1-2H3,(H,21,24)(H,23,25,26)
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20n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431349
PNG
(CHEMBL2348648)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1F
Show InChI InChI=1S/C19H21FN6OS/c1-12-17(28-19(21-2)23-12)16-15(20)11-22-18(25-16)24-13-4-3-5-14(10-13)26-6-8-27-9-7-26/h3-5,10-11H,6-9H2,1-2H3,(H,21,23)(H,22,24,25)
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20n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431354
PNG
(CHEMBL2348643)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C#N
Show InChI InChI=1S/C22H24N8OS/c1-14-20(32-22(24-3)26-14)19-16(12-23)13-25-21(28-19)27-17-4-6-18(7-5-17)30-10-8-29(9-11-30)15(2)31/h4-7,13H,8-11H2,1-3H3,(H,24,26)(H,25,27,28)
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26n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431358
PNG
(CHEMBL2348638)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C
Show InChI InChI=1S/C16H18N6O2S2/c1-9-8-19-15(21-11-5-4-6-12(7-11)26(17,23)24)22-13(9)14-10(2)20-16(18-3)25-14/h4-8H,1-3H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
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34n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431353
PNG
(CHEMBL2348644)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C#N
Show InChI InChI=1S/C20H22N8S/c1-13-18(29-20(22-2)25-13)17-14(11-21)12-24-19(27-17)26-15-3-5-16(6-4-15)28-9-7-23-8-10-28/h3-6,12,23H,7-10H2,1-2H3,(H,22,25)(H,24,26,27)
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39n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431351
PNG
(CHEMBL2348646)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1F
Show InChI InChI=1S/C21H24FN7OS/c1-13-19(31-21(23-3)25-13)18-17(22)12-24-20(27-18)26-15-5-4-6-16(11-15)29-9-7-28(8-10-29)14(2)30/h4-6,11-12H,7-10H2,1-3H3,(H,23,25)(H,24,26,27)
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42n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431352
PNG
(CHEMBL2348645)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCCC2)ncc1C#N
Show InChI InChI=1S/C21H23N7S/c1-14-19(29-21(23-2)25-14)18-15(12-22)13-24-20(27-18)26-16-7-6-8-17(11-16)28-9-4-3-5-10-28/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,23,25)(H,24,26,27)
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42n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431356
PNG
(CHEMBL2348641)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1C#N
Show InChI InChI=1S/C22H24N8OS/c1-14-20(32-22(24-3)26-14)19-16(12-23)13-25-21(28-19)27-17-5-4-6-18(11-17)30-9-7-29(8-10-30)15(2)31/h4-6,11,13H,7-10H2,1-3H3,(H,24,26)(H,25,27,28)
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43n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431348
PNG
(CHEMBL2348649)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1Cl
Show InChI InChI=1S/C19H22ClN7S/c1-12-17(28-19(21-2)24-12)16-15(20)11-23-18(26-16)25-13-4-3-5-14(10-13)27-8-6-22-7-9-27/h3-5,10-11,22H,6-9H2,1-2H3,(H,21,24)(H,23,25,26)
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45n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431355
PNG
(CHEMBL2348642)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1C#N
Show InChI InChI=1S/C20H22N8S/c1-13-18(29-20(22-2)25-13)17-14(11-21)12-24-19(27-17)26-15-4-3-5-16(10-15)28-8-6-23-7-9-28/h3-5,10,12,23H,6-9H2,1-2H3,(H,22,25)(H,24,26,27)
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56n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50425001
PNG
(CHEMBL2312194)
Show SMILES CC[C@@H](CO)Nc1nc(Cc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C24H28N6O/c1-4-19(14-31)27-24-28-21(22-23(29-24)30(15-26-22)16(2)3)13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,31H,4,13-14H2,1-3H3,(H,27,28,29)/t19-/m0/s1
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80n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431347
PNG
(CHEMBL2348650)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1F
Show InChI InChI=1S/C20H24FN7S/c1-13-18(29-20(22-2)25-13)17-16(21)12-24-19(27-17)26-14-5-3-6-15(11-14)28-9-4-7-23-8-10-28/h3,5-6,11-12,23H,4,7-10H2,1-2H3,(H,22,25)(H,24,26,27)
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85n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50425004
PNG
(CHEMBL2312189)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C21H23N7O3S2/c1-13-4-5-16(10-17(13)33(29,30)28-6-8-31-9-7-28)26-20-24-12-15(11-22)18(27-20)19-14(2)25-21(23-3)32-19/h4-5,10,12H,6-9H2,1-3H3,(H,23,25)(H,24,26,27)
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123n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431346
PNG
(CHEMBL2348651)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCN(CC2)C(C)=O)ncc1C#N
Show InChI InChI=1S/C23H26N8OS/c1-15-21(33-23(25-3)27-15)20-17(13-24)14-26-22(29-20)28-18-6-4-7-19(12-18)31-9-5-8-30(10-11-31)16(2)32/h4,6-7,12,14H,5,8-11H2,1-3H3,(H,25,27)(H,26,28,29)
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131n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50425009
PNG
(CHEMBL2312184)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(CC(=O)N3CCCNCC3)c2)ncc1C#N
Show InChI InChI=1S/C23H26N8OS/c1-15-21(33-23(25-2)28-15)20-17(13-24)14-27-22(30-20)29-18-6-3-5-16(11-18)12-19(32)31-9-4-7-26-8-10-31/h3,5-6,11,14,26H,4,7-10,12H2,1-2H3,(H,25,28)(H,27,29,30)
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131n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50425002
PNG
(CHEMBL2312191)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C21H21N7O2S/c1-13-18(31-21(23-2)25-13)17-15(11-22)12-24-20(27-17)26-16-5-3-4-14(10-16)19(29)28-6-8-30-9-7-28/h3-5,10,12H,6-9H2,1-2H3,(H,23,25)(H,24,26,27)
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147n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/Cyclin A/Cyclin A1


(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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190n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431341
PNG
(CHEMBL2348841)
Show SMILES CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C16H15F3N6O2S2/c1-21-15-25-12(8-16(17,18)19)13(28-15)11-5-6-22-14(24-11)23-9-3-2-4-10(7-9)29(20,26)27/h2-7H,8H2,1H3,(H,21,25)(H2,20,26,27)(H,22,23,24)
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226n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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250n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431343
PNG
(CHEMBL2348654)
Show SMILES CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C16H14F3N5OS/c1-20-15-24-12(8-16(17,18)19)13(26-15)11-5-6-21-14(23-11)22-9-3-2-4-10(25)7-9/h2-7,25H,8H2,1H3,(H,20,24)(H,21,22,23)
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282n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431345
PNG
(CHEMBL2348652)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1
Show InChI InChI=1S/C20H25N7S/c1-14-18(28-20(21-2)24-14)17-7-9-23-19(26-17)25-15-5-3-6-16(13-15)27-11-4-8-22-10-12-27/h3,5-7,9,13,22H,4,8,10-12H2,1-2H3,(H,21,24)(H,23,25,26)
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320n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431334
PNG
(CHEMBL2348848)
Show SMILES CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1
Show InChI InChI=1S/C22H27N7S/c1-23-22-28-19(15-6-7-15)20(30-22)18-8-10-25-21(27-18)26-16-4-2-5-17(14-16)29-12-3-9-24-11-13-29/h2,4-5,8,10,14-15,24H,3,6-7,9,11-13H2,1H3,(H,23,28)(H,25,26,27)
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326n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431342
PNG
(CHEMBL2348840)
Show SMILES CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C16H14F3N5OS/c1-20-15-24-12(8-16(17,18)19)13(26-15)11-6-7-21-14(23-11)22-9-2-4-10(25)5-3-9/h2-7,25H,8H2,1H3,(H,20,24)(H,21,22,23)
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347n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50425008
PNG
(CHEMBL2312185)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C#N
Show InChI InChI=1S/C21H24N8S/c1-14-19(30-21(23-2)26-14)18-15(12-22)13-25-20(28-18)27-16-5-3-6-17(11-16)29-9-4-7-24-8-10-29/h3,5-6,11,13,24H,4,7-10H2,1-2H3,(H,23,26)(H,25,27,28)
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568n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431357
PNG
(CHEMBL2348639)
Show SMILES CCc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1-c1sc(NC)nc1C
Show InChI InChI=1S/C17H20N6O2S2/c1-4-11-9-20-16(22-12-6-5-7-13(8-12)27(18,24)25)23-14(11)15-10(2)21-17(19-3)26-15/h5-9H,4H2,1-3H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
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845n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50130709
PNG
(CHEMBL3632736)
Show SMILES Ic1ccc(Nc2ncnc3[nH]ncc23)cc1
Show InChI InChI=1S/C11H8IN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
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3.05E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431362
PNG
(CHEMBL2347594)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1O
Show InChI InChI=1S/C15H14N6O3S/c1-8-13(25-15(16-2)18-8)12-11(22)7-17-14(20-12)19-9-4-3-5-10(6-9)21(23)24/h3-7,22H,1-2H3,(H,16,18)(H,17,19,20)
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50425000
PNG
(CHEMBL2312192)
Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1)-c1ccccc1
Show InChI InChI=1S/C25H26N6O3S2/c1-17-8-9-19(16-21(17)36(32,33)31-12-14-34-15-13-31)28-24-27-11-10-20(29-24)23-22(30-25(26-2)35-23)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,26,30)(H,27,28,29)
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50424999
PNG
(CHEMBL2312193)
Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1)-c1ccccc1
Show InChI InChI=1S/C20H16N6O2S/c1-21-20-25-17(13-6-3-2-4-7-13)18(29-20)16-10-11-22-19(24-16)23-14-8-5-9-15(12-14)26(27)28/h2-12H,1H3,(H,21,25)(H,22,23,24)
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50424999
PNG
(CHEMBL2312193)
Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1)-c1ccccc1
Show InChI InChI=1S/C20H16N6O2S/c1-21-20-25-17(13-6-3-2-4-7-13)18(29-20)16-10-11-22-19(24-16)23-14-8-5-9-15(12-14)26(27)28/h2-12H,1H3,(H,21,25)(H,22,23,24)
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50431361
PNG
(CHEMBL2347596)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1O
Show InChI InChI=1S/C15H16N6O3S2/c1-8-13(25-15(17-2)19-8)12-11(22)7-18-14(21-12)20-9-4-3-5-10(6-9)26(16,23)24/h3-7,22H,1-2H3,(H,17,19)(H2,16,23,24)(H,18,20,21)
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
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