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Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'wrobleski' and Initial = 'ad'   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50096333
PNG
(CHEMBL3577114)
Show SMILES CNc1cc2n([C@H]3CCOC3)c(=O)c(cc2cn1)-c1ccc(F)c(NC(=O)Nc2cc(no2)C(C)(C)C)c1
Show InChI InChI=1/C27H29FN6O4/c1-27(2,3)22-12-24(38-33-22)32-26(36)31-20-10-15(5-6-19(20)28)18-9-16-13-30-23(29-4)11-21(16)34(25(18)35)17-7-8-37-14-17/h5-6,9-13,17H,7-8,14H2,1-4H3,(H,29,30)(H2,31,32,36)/t17-/s2
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n/an/a 0.460n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096333
PNG
(CHEMBL3577114)
Show SMILES CNc1cc2n([C@H]3CCOC3)c(=O)c(cc2cn1)-c1ccc(F)c(NC(=O)Nc2cc(no2)C(C)(C)C)c1
Show InChI InChI=1/C27H29FN6O4/c1-27(2,3)22-12-24(38-33-22)32-26(36)31-20-10-15(5-6-19(20)28)18-9-16-13-30-23(29-4)11-21(16)34(25(18)35)17-7-8-37-14-17/h5-6,9-13,17H,7-8,14H2,1-4H3,(H,29,30)(H2,31,32,36)/t17-/s2
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n/an/a 1n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096323
PNG
(CHEMBL3577123)
Show SMILES CNc1ncc2cc(cnc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C22H27FN6O/c1-13-8-17(23)18(28-21(30)25-7-6-22(2,3)4)10-16(13)14-9-15-12-27-20(24-5)29-19(15)26-11-14/h8-12H,6-7H2,1-5H3,(H2,25,28,30)(H,24,26,27,29)
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n/an/a 1.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096332
PNG
(CHEMBL3577115)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2ccc(F)c(NC(=O)Nc3cc(no3)C(C)(C)C)c2)c1=O
Show InChI InChI=1S/C25H27FN6O3/c1-6-32-19-11-21(27-5)28-13-15(19)9-16(23(32)33)14-7-8-17(26)18(10-14)29-24(34)30-22-12-20(31-35-22)25(2,3)4/h7-13H,6H2,1-5H3,(H,27,28)(H2,29,30,34)
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n/an/a 1.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096325
PNG
(CHEMBL3577120)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C23H28FN5O/c1-14-17(10-16-13-27-21(25-5)12-19(16)28-14)15-6-7-18(24)20(11-15)29-22(30)26-9-8-23(2,3)4/h6-7,10-13H,8-9H2,1-5H3,(H,25,27)(H2,26,29,30)
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n/an/a 1.60n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50096332
PNG
(CHEMBL3577115)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2ccc(F)c(NC(=O)Nc3cc(no3)C(C)(C)C)c2)c1=O
Show InChI InChI=1S/C25H27FN6O3/c1-6-32-19-11-21(27-5)28-13-15(19)9-16(23(32)33)14-7-8-17(26)18(10-14)29-24(34)30-22-12-20(31-35-22)25(2,3)4/h7-13H,6H2,1-5H3,(H,27,28)(H2,29,30,34)
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n/an/a 1.90n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096323
PNG
(CHEMBL3577123)
Show SMILES CNc1ncc2cc(cnc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C22H27FN6O/c1-13-8-17(23)18(28-21(30)25-7-6-22(2,3)4)10-16(13)14-9-15-12-27-20(24-5)29-19(15)26-11-14/h8-12H,6-7H2,1-5H3,(H2,25,28,30)(H,24,26,27,29)
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n/an/a 2n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096328
PNG
(CHEMBL3577119)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C22H27FN6O/c1-13-16(10-15-12-26-20(24-5)29-19(15)27-13)14-6-7-17(23)18(11-14)28-21(30)25-9-8-22(2,3)4/h6-7,10-12H,8-9H2,1-5H3,(H2,25,28,30)(H,24,26,27,29)
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n/an/a 2.80n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096332
PNG
(CHEMBL3577115)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2ccc(F)c(NC(=O)Nc3cc(no3)C(C)(C)C)c2)c1=O
Show InChI InChI=1S/C25H27FN6O3/c1-6-32-19-11-21(27-5)28-13-15(19)9-16(23(32)33)14-7-8-17(26)18(10-14)29-24(34)30-22-12-20(31-35-22)25(2,3)4/h7-13H,6H2,1-5H3,(H,27,28)(H2,29,30,34)
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n/an/a 2.90n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096325
PNG
(CHEMBL3577120)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C23H28FN5O/c1-14-17(10-16-13-27-21(25-5)12-19(16)28-14)15-6-7-18(24)20(11-15)29-22(30)26-9-8-23(2,3)4/h6-7,10-13H,8-9H2,1-5H3,(H,25,27)(H2,26,29,30)
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n/an/a 3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096333
PNG
(CHEMBL3577114)
Show SMILES CNc1cc2n([C@H]3CCOC3)c(=O)c(cc2cn1)-c1ccc(F)c(NC(=O)Nc2cc(no2)C(C)(C)C)c1
Show InChI InChI=1/C27H29FN6O4/c1-27(2,3)22-12-24(38-33-22)32-26(36)31-20-10-15(5-6-19(20)28)18-9-16-13-30-23(29-4)11-21(16)34(25(18)35)17-7-8-37-14-17/h5-6,9-13,17H,7-8,14H2,1-4H3,(H,29,30)(H2,31,32,36)/t17-/s2
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n/an/a 3.10n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096331
PNG
(CHEMBL3577116)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)c1=O
Show InChI InChI=1S/C25H32FN5O2/c1-7-31-21-13-22(27-6)29-14-16(21)11-18(23(31)32)17-12-20(19(26)10-15(17)2)30-24(33)28-9-8-25(3,4)5/h10-14H,7-9H2,1-6H3,(H,27,29)(H2,28,30,33)
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n/an/a 4.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096279
PNG
(CHEMBL3577124)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)
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n/an/a 4.30n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096329
PNG
(CHEMBL3577118)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1C
Show InChI InChI=1S/C24H31N5O/c1-15-7-8-18(29-23(30)26-10-9-24(3,4)5)12-19(15)20-11-17-14-27-22(25-6)13-21(17)28-16(20)2/h7-8,11-14H,9-10H2,1-6H3,(H,25,27)(H2,26,29,30)
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n/an/a 4.30n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096323
PNG
(CHEMBL3577123)
Show SMILES CNc1ncc2cc(cnc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C22H27FN6O/c1-13-8-17(23)18(28-21(30)25-7-6-22(2,3)4)10-16(13)14-9-15-12-27-20(24-5)29-19(15)26-11-14/h8-12H,6-7H2,1-5H3,(H2,25,28,30)(H,24,26,27,29)
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n/an/a 4.40n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type BRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096331
PNG
(CHEMBL3577116)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)c1=O
Show InChI InChI=1S/C25H32FN5O2/c1-7-31-21-13-22(27-6)29-14-16(21)11-18(23(31)32)17-12-20(19(26)10-15(17)2)30-24(33)28-9-8-25(3,4)5/h10-14H,7-9H2,1-6H3,(H,27,29)(H2,28,30,33)
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n/an/a 5.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096324
PNG
(CHEMBL3577121)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C24H30FN5O/c1-14-9-19(25)21(30-23(31)27-8-7-24(3,4)5)11-17(14)18-10-16-13-28-22(26-6)12-20(16)29-15(18)2/h9-13H,7-8H2,1-6H3,(H,26,28)(H2,27,30,31)
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n/an/a 5.60n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096279
PNG
(CHEMBL3577124)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)
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n/an/a 5.80n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50428286
PNG
(DABRAFENIB | GSK2118436A)
Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
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n/an/a 6n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive binding affinity to BRAF in human A375 cells after 15 mins in presence of ATP analogue


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US9388165, Refer...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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n/an/a 6.10n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318008
PNG
(2-[4-[(3-Chloro-2-pyridyl)methyl]piperazin-1-yl]-8...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ncccc2Cl)CC1
Show InChI InChI=1S/C18H23ClN6O/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-15-14(19)5-2-6-20-15/h2,5-6H,3-4,7-12H2,1H3,(H,21,22,26)
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n/an/a 6.25n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318009
PNG
(2-[4-[(3-Bromo-2- pyridyl)methyl]piperazin-1- yl]-...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ncccc2Br)CC1
Show InChI InChI=1S/C18H23BrN6O/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-15-14(19)5-2-6-20-15/h2,5-6H,3-4,7-12H2,1H3,(H,21,22,26)
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n/an/a 6.58n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096329
PNG
(CHEMBL3577118)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NCCC(C)(C)C)ccc1C
Show InChI InChI=1S/C24H31N5O/c1-15-7-8-18(29-23(30)26-10-9-24(3,4)5)12-19(15)20-11-17-14-27-22(25-6)13-21(17)28-16(20)2/h7-8,11-14H,9-10H2,1-6H3,(H,25,27)(H2,26,29,30)
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n/an/a 6.70n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096333
PNG
(CHEMBL3577114)
Show SMILES CNc1cc2n([C@H]3CCOC3)c(=O)c(cc2cn1)-c1ccc(F)c(NC(=O)Nc2cc(no2)C(C)(C)C)c1
Show InChI InChI=1/C27H29FN6O4/c1-27(2,3)22-12-24(38-33-22)32-26(36)31-20-10-15(5-6-19(20)28)18-9-16-13-30-23(29-4)11-21(16)34(25(18)35)17-7-8-37-14-17/h5-6,9-13,17H,7-8,14H2,1-4H3,(H,29,30)(H2,31,32,36)/t17-/s2
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n/an/a 6.80n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant in human A375 cells assessed as inhibition of ERK phosphorylation measured after 72 hrs by ELISA assay


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096330
PNG
(CHEMBL3577117)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NC[C@@H](O)C(C)(C)C)c(F)cc1C
Show InChI InChI=1/C24H30FN5O2/c1-13-7-18(25)20(30-23(32)28-12-21(31)24(3,4)5)9-16(13)17-8-15-11-27-22(26-6)10-19(15)29-14(17)2/h7-11,21,31H,12H2,1-6H3,(H,26,27)(H2,28,30,32)/t21-/s2
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n/an/a 7.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318034
PNG
(8-Methyl-2-[4-[[3-trifluoromethyl)-2- pyridyl]meth...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C20H24F3N5O/c1-26-8-4-6-15-17(26)24-19(25-18(15)29)28-11-9-27(10-12-28)13-14-5-2-3-7-16(14)20(21,22)23/h2-3,5,7H,4,6,8-13H2,1H3,(H,24,25,29)
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n/an/a 7.54n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096328
PNG
(CHEMBL3577119)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C22H27FN6O/c1-13-16(10-15-12-26-20(24-5)29-19(15)27-13)14-6-7-17(23)18(11-14)28-21(30)25-9-8-22(2,3)4/h6-7,10-12H,8-9H2,1-5H3,(H2,25,28,30)(H,24,26,27,29)
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n/an/a 7.60n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096330
PNG
(CHEMBL3577117)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1cc(NC(=O)NC[C@@H](O)C(C)(C)C)c(F)cc1C
Show InChI InChI=1/C24H30FN5O2/c1-13-7-18(25)20(30-23(32)28-12-21(31)24(3,4)5)9-16(13)17-8-15-11-27-22(26-6)10-19(15)29-14(17)2/h7-11,21,31H,12H2,1-6H3,(H,26,27)(H2,28,30,32)/t21-/s2
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n/an/a 7.70n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096334
PNG
(CHEMBL3577122)
Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1-c1cc2cnc(N)nc2nc1C
Show InChI InChI=1S/C22H27FN6O/c1-12-8-17(23)18(28-21(30)25-7-6-22(3,4)5)10-15(12)16-9-14-11-26-20(24)29-19(14)27-13(16)2/h8-11H,6-7H2,1-5H3,(H2,25,28,30)(H2,24,26,27,29)
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n/an/a 7.90n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096325
PNG
(CHEMBL3577120)
Show SMILES CNc1cc2nc(C)c(cc2cn1)-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
Show InChI InChI=1S/C23H28FN5O/c1-14-17(10-16-13-27-21(25-5)12-19(16)28-14)15-6-7-18(24)20(11-15)29-22(30)26-9-8-23(2,3)4/h6-7,10-13H,8-9H2,1-5H3,(H,25,27)(H2,26,29,30)
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n/an/a 8.40n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type BRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318039
PNG
(2-[[4-(8-Methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ncccc2C#N)CC1
Show InChI InChI=1S/C19H23N7O/c1-24-7-3-5-15-17(24)22-19(23-18(15)27)26-10-8-25(9-11-26)13-16-14(12-20)4-2-6-21-16/h2,4,6H,3,5,7-11,13H2,1H3,(H,22,23,27)
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n/an/a 8.41n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50428286
PNG
(DABRAFENIB | GSK2118436A)
Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
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n/an/a 9.70n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type BRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318007
PNG
(8-Methyl-2-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ncccn2)CC1
Show InChI InChI=1S/C17H23N7O/c1-22-7-2-4-13-15(22)20-17(21-16(13)25)24-10-8-23(9-11-24)12-14-18-5-3-6-19-14/h3,5-6H,2,4,7-12H2,1H3,(H,20,21,25)
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n/an/a 9.95n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096332
PNG
(CHEMBL3577115)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2ccc(F)c(NC(=O)Nc3cc(no3)C(C)(C)C)c2)c1=O
Show InChI InChI=1S/C25H27FN6O3/c1-6-32-19-11-21(27-5)28-13-15(19)9-16(23(32)33)14-7-8-17(26)18(10-14)29-24(34)30-22-12-20(31-35-22)25(2,3)4/h7-13H,6H2,1-5H3,(H,27,28)(H2,29,30,34)
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n/an/a 10n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type BRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318040
PNG
(2-[4-[(4-Chloropyrimidin-2-yl)methyl]piperazin-1-y...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2nccc(Cl)n2)CC1
Show InChI InChI=1S/C17H22ClN7O/c1-23-6-2-3-12-15(23)21-17(22-16(12)26)25-9-7-24(8-10-25)11-14-19-5-4-13(18)20-14/h4-5H,2-3,6-11H2,1H3,(H,21,22,26)
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n/an/a 10.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM318008
PNG
(2-[4-[(3-Chloro-2-pyridyl)methyl]piperazin-1-yl]-8...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ncccc2Cl)CC1
Show InChI InChI=1S/C18H23ClN6O/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-15-14(19)5-2-6-20-15/h2,5-6H,3-4,7-12H2,1H3,(H,21,22,26)
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n/an/a 10.7n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318036
PNG
(2-[[4-(8-Methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ccccc2C#N)CC1
Show InChI InChI=1S/C20H24N6O/c1-24-8-4-7-17-18(24)22-20(23-19(17)27)26-11-9-25(10-12-26)14-16-6-3-2-5-15(16)13-21/h2-3,5-6H,4,7-12,14H2,1H3,(H,22,23,27)
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n/an/a 10.8n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM318009
PNG
(2-[4-[(3-Bromo-2- pyridyl)methyl]piperazin-1- yl]-...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ncccc2Br)CC1
Show InChI InChI=1S/C18H23BrN6O/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-15-14(19)5-2-6-20-15/h2,5-6H,3-4,7-12H2,1H3,(H,21,22,26)
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n/an/a 10.9n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50096331
PNG
(CHEMBL3577116)
Show SMILES CCn1c2cc(NC)ncc2cc(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)c1=O
Show InChI InChI=1S/C25H32FN5O2/c1-7-31-21-13-22(27-6)29-14-16(21)11-18(23(31)32)17-12-20(19(26)10-15(17)2)30-24(33)28-9-8-25(3,4)5/h10-14H,7-9H2,1-6H3,(H,27,29)(H2,28,30,33)
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n/an/a 11n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of wild type BRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in ...


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50428286
PNG
(DABRAFENIB | GSK2118436A)
Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
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n/an/a 11n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of BRAF V600E mutant in human A375 cells assessed as inhibition of ERK phosphorylation measured after 72 hrs by ELISA assay


J Med Chem 58: 4165-79 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00067
BindingDB Entry DOI: 10.7270/Q2ZS2Z85
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318026
PNG
(2-[4-[(3-Fluoro-2-pyridyl)methyl]piperazin-1-yl]-8...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ncccc2F)CC1
Show InChI InChI=1S/C18H23FN6O/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-15-14(19)5-2-6-20-15/h2,5-6H,3-4,7-12H2,1H3,(H,21,22,26)
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n/an/a 11.3n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318010
PNG
(2-[4-[(3-Hydroxy-2- pyridyl)methyl]piperazin-1- yl...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ncccc2O)CC1
Show InChI InChI=1S/C18H24N6O2/c1-22-7-3-4-13-16(22)20-18(21-17(13)26)24-10-8-23(9-11-24)12-14-15(25)5-2-6-19-14/h2,5-6,25H,3-4,7-12H2,1H3,(H,20,21,26)
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n/an/a 11.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318025
PNG
(US9624218, Example 19 | US9624218, Example 34)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ccccn2)CC1
Show InChI InChI=1S/C18H24N6O/c1-22-8-4-6-15-16(22)20-18(21-17(15)25)24-11-9-23(10-12-24)13-14-5-2-3-7-19-14/h2-3,5,7H,4,6,8-13H2,1H3,(H,20,21,25)
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n/an/a 11.6n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318020
PNG
(8-Methyl-2-[4-[(4- methylpyrimidin-2- yl)methyl]pi...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2nccc(C)n2)CC1
Show InChI InChI=1S/C18H25N7O/c1-13-5-6-19-15(20-13)12-24-8-10-25(11-9-24)18-21-16-14(17(26)22-18)4-3-7-23(16)2/h5-6H,3-4,7-12H2,1-2H3,(H,21,22,26)
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n/an/a 11.7n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318025
PNG
(US9624218, Example 19 | US9624218, Example 34)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ccccn2)CC1
Show InChI InChI=1S/C18H24N6O/c1-22-8-4-6-15-16(22)20-18(21-17(15)25)24-11-9-23(10-12-24)13-14-5-2-3-7-19-14/h2-3,5,7H,4,6,8-13H2,1H3,(H,20,21,25)
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n/an/a 11.8n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318030
PNG
(8-Methyl-2-[4-(o- tolylmethyl)piperazin-1-yl]- 3,5...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2ccccc2C)CC1
Show InChI InChI=1S/C20H27N5O/c1-15-6-3-4-7-16(15)14-24-10-12-25(13-11-24)20-21-18-17(19(26)22-20)8-5-9-23(18)2/h3-4,6-7H,5,8-14H2,1-2H3,(H,21,22,26)
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n/an/a 12.2n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318019
PNG
(2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-...)
Show SMILES COc1ccnc(CN2CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)n1
Show InChI InChI=1S/C18H25N7O2/c1-23-7-3-4-13-16(23)21-18(22-17(13)26)25-10-8-24(9-11-25)12-14-19-6-5-15(20-14)27-2/h5-6H,3-4,7-12H2,1-2H3,(H,21,22,26)
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n/an/a 12.4n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318042
PNG
(2-[4-[(3-Chloropyrazin-2- yl)methyl]piperazin-l-yl...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2nccnc2Cl)CC1
Show InChI InChI=1S/C17H22ClN7O/c1-23-6-2-3-12-15(23)21-17(22-16(12)26)25-9-7-24(8-10-25)11-13-14(18)20-5-4-19-13/h4-5H,2-3,6-11H2,1H3,(H,21,22,26)
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n/an/a 12.7n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318043
PNG
(8-Methyl-2-[4-[(3-methyl- pyrazin-2-yl)methyl]pipe...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2nccnc2C)CC1
Show InChI InChI=1S/C18H25N7O/c1-13-15(20-6-5-19-13)12-24-8-10-25(11-9-24)18-21-16-14(17(26)22-18)4-3-7-23(16)2/h5-6H,3-4,7-12H2,1-2H3,(H,21,22,26)
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n/an/a 12.7n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM318041
PNG
(8-Methyl-2-[4-(pyrazin-2-ylmethyl)piperazin-1-yl]-...)
Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCN(Cc2cnccn2)CC1
Show InChI InChI=1S/C17H23N7O/c1-22-6-2-3-14-15(22)20-17(21-16(14)25)24-9-7-23(8-10-24)12-13-11-18-4-5-19-13/h4-5,11H,2-3,6-10,12H2,1H3,(H,20,21,25)
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n/an/a 13n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated...


US Patent US9624218 (2017)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q26112CZ
More data for this
Ligand-Target Pair
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