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Compile Data Set for Download or QSAR

Found 511 hits with Last Name = 'tomlinson' and Initial = 'rc'   
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM138200
PNG
(US8871778, 141)
Show SMILES Cc1nn(cc1CN1CC(O)C1)-c1ccnc(Nc2ccc3n(C)c(C)c(Cl)c3c2)n1
Show InChI InChI=1S/C22H24ClN7O/c1-13-15(9-29-11-17(31)12-29)10-30(27-13)20-6-7-24-22(26-20)25-16-4-5-19-18(8-16)21(23)14(2)28(19)3/h4-8,10,17,31H,9,11-12H2,1-3H3,(H,24,25,26)
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n/an/a 0.0300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50548361
PNG
(CHEMBL4744190)
Show SMILES COC(=O)c1nn(C)c2c(C)cc(Nc3nccc(n3)-c3cc(CN(C)C)n(C)n3)cc12
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n/an/a 0.0300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50548350
PNG
(CHEMBL4780257)
Show SMILES CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN4CC(O)C4)c(C)n3)cc12
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n/an/a 0.0600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50548354
PNG
(CHEMBL4753469)
Show SMILES CNC(=O)c1ncn2ccc(Nc3nccc(n3)-n3cc(CN(C)C)cn3)cc12
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n/an/a 0.0900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50548358
PNG
(CHEMBL4753141)
Show SMILES CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN(C)C)c(OC)n3)cc12
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n/an/a 0.110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50548362
PNG
(CHEMBL4784088)
Show SMILES CN(C)Cc1cc(nn1C)-c1ccnc(Nc2ccc3n(C)nc(-c4nnc(C)o4)c3c2)n1
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n/an/a 0.130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50548357
PNG
(CHEMBL4752008)
Show SMILES CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN(C)C)c(F)n3)cc12
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n/an/a 0.140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50548363
PNG
(CHEMBL4753164)
Show SMILES CN(C)Cc1cc(nn1C)-c1ccnc(Nc2ccn3c(C)nc(-c4nnc(C)o4)c3c2)n1
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n/an/a 0.190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50548356
PNG
(CHEMBL4792651)
Show SMILES CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)-n3cc(cn3)[C@@H]3C[C@@H](F)CN3C)cc12 |r|
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50548351
PNG
(CHEMBL4786316)
Show SMILES CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN(C)C)cn3)cc12
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n/an/a 0.210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50548353
PNG
(CHEMBL4762290)
Show SMILES CNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(n3)-n3cc(CN(C)C)cn3)cc12
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n/an/a 0.220n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50548355
PNG
(CHEMBL4784783)
Show SMILES CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)-n3cc(cn3)[C@@H]3C[C@H](O)CN3C)cc12 |r|
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n/an/a 0.240n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50548360
PNG
(CHEMBL4790107)
Show SMILES CNC(=O)c1nn(C)c2c(C)cc(Nc3nccc(n3)-c3cc(CN(C)C)n(C)n3)cc12
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n/an/a 0.260n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50546393
PNG
(CHEMBL4751083)
Show SMILES CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-n3cc(CN(C)C)c(C)n3)cc12
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n/an/a 0.310n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50548352
PNG
(CHEMBL4793844)
Show SMILES CN(C)Cc1cnn(c1)-c1ccnc(Nc2ccc3n(C)nc(C(=O)N(C)C)c3c2)n1
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n/an/a 0.940n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50548359
PNG
(CHEMBL4757235)
Show SMILES CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)-c3cc(CN(C)C)n(C)n3)cc12
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n/an/a 0.950n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127433
BindingDB Entry DOI: 10.7270/Q2C2511G
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191194
PNG
(US9181266, 63)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC1CC1)Cc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C28H34N4O5/c1-36-20-4-5-21-19(12-20)13-28(26(21)34)7-9-31(10-8-28)16-25(33)32(14-18-2-3-18)15-24-29-23-6-11-37-17-22(23)27(35)30-24/h4-5,12,18H,2-3,6-11,13-17H2,1H3,(H,29,30,35)
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US Patent
n/an/a 1n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191195
PNG
(US9181266, 64)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC(F)F)Cc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C26H30F2N4O5/c1-36-17-2-3-18-16(10-17)11-26(24(18)34)5-7-31(8-6-26)14-23(33)32(12-21(27)28)13-22-29-20-4-9-37-15-19(20)25(35)30-22/h2-3,10,21H,4-9,11-15H2,1H3,(H,29,30,35)
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n/an/a 2.5n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM50439791
PNG
(CHEMBL2419706 | US9181266, 5)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)
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Article
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n/an/a 3.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin


J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))
BDBM50439799
PNG
(CHEMBL2419698 | US9181266, 13)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H29FN4O4S/c28-20-5-3-18(4-6-20)26(34)19-7-10-31(11-8-19)16-25(33)32(14-21-2-1-13-37-21)15-24-29-23-9-12-36-17-22(23)27(35)30-24/h1-6,13,19H,7-12,14-17H2,(H,29,30,35)
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n/an/a 3.60n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin


J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191193
PNG
(US9181266, 62)
Show SMILES Fc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC1CC1)Cc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C27H31FN4O4/c28-19-3-4-20-18(11-19)12-27(25(20)34)6-8-31(9-7-27)15-24(33)32(13-17-1-2-17)14-23-29-22-5-10-36-16-21(22)26(35)30-23/h3-4,11,17H,1-2,5-10,12-16H2,(H,29,30,35)
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n/an/a 4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191199
PNG
(US9181266, 68)
Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C24H28F2N4O4/c25-20(26)12-30(13-21-27-19-8-11-34-15-18(19)24(33)28-21)22(31)14-29-9-6-17(7-10-29)23(32)16-4-2-1-3-5-16/h1-5,17,20H,6-15H2,(H,27,28,33)
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n/an/a 5n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50439791
PNG
(CHEMBL2419706 | US9181266, 5)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)
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US Patent
n/an/a 6n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191219
PNG
(US9181266, 88)
Show SMILES COCCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C25H32N4O6/c1-33-12-13-35-19-4-2-17(3-5-19)24(31)18-6-9-29(10-7-18)15-23(30)26-14-22-27-21-8-11-34-16-20(21)25(32)28-22/h2-5,18H,6-16H2,1H3,(H,26,30)(H,27,28,32)
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n/an/a 6n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191141
PNG
(US9181266, 2)
Show SMILES Clc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C22H25ClN4O4/c23-16-3-1-14(2-4-16)21(29)15-5-8-27(9-6-15)12-20(28)24-11-19-25-18-7-10-31-13-17(18)22(30)26-19/h1-4,15H,5-13H2,(H,24,28)(H,25,26,30)
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n/an/a 7n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50439799
PNG
(CHEMBL2419698 | US9181266, 13)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H29FN4O4S/c28-20-5-3-18(4-6-20)26(34)19-7-10-31(11-8-19)16-25(33)32(14-21-2-1-13-37-21)15-24-29-23-9-12-36-17-22(23)27(35)30-24/h1-6,13,19H,7-12,14-17H2,(H,29,30,35)
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n/an/a 7.5n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191201
PNG
(US9181266, 70)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H31F3N4O5/c28-27(29,30)39-20-5-3-18(4-6-20)25(36)19-7-10-33(11-8-19)15-24(35)34(13-17-1-2-17)14-23-31-22-9-12-38-16-21(22)26(37)32-23/h3-6,17,19H,1-2,7-16H2,(H,31,32,37)
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n/an/a 8n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191192
PNG
(US9181266, 61)
Show SMILES Fc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)NCc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C23H25FN4O4/c24-15-1-2-16-14(9-15)10-23(21(16)30)4-6-28(7-5-23)12-20(29)25-11-19-26-18-3-8-32-13-17(18)22(31)27-19/h1-2,9H,3-8,10-13H2,(H,25,29)(H,26,27,31)
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n/an/a 8n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191197
PNG
(US9181266, 66)
Show SMILES CCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C24H30N4O5/c1-2-33-18-5-3-16(4-6-18)23(30)17-7-10-28(11-8-17)14-22(29)25-13-21-26-20-9-12-32-15-19(20)24(31)27-21/h3-6,17H,2,7-15H2,1H3,(H,25,29)(H,26,27,31)
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n/an/a 9n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191170
PNG
(US9181266, 39)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2nc3CCOCc3c(=O)[nH]2)Cc2ccccc2F)CC1
Show InChI InChI=1S/C29H30F2N4O4/c30-22-7-5-19(6-8-22)28(37)20-9-12-34(13-10-20)17-27(36)35(15-21-3-1-2-4-24(21)31)16-26-32-25-11-14-39-18-23(25)29(38)33-26/h1-8,20H,9-18H2,(H,32,33,38)
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n/an/a 9n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191216
PNG
(US9181266, 85)
Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C26H32N4O5/c31-24(27-13-23-28-22-9-12-34-16-21(22)26(33)29-23)14-30-10-7-19(8-11-30)25(32)18-3-5-20(6-4-18)35-15-17-1-2-17/h3-6,17,19H,1-2,7-16H2,(H,27,31)(H,28,29,33)
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n/an/a 10n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM191195
PNG
(US9181266, 64)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC(F)F)Cc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C26H30F2N4O5/c1-36-17-2-3-18-16(10-17)11-26(24(18)34)5-7-31(8-6-26)14-23(33)32(12-21(27)28)13-22-29-20-4-9-37-15-19(20)25(35)30-22/h2-3,10,21H,4-9,11-15H2,1H3,(H,29,30,35)
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n/an/a 10n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM191194
PNG
(US9181266, 63)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC1CC1)Cc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C28H34N4O5/c1-36-20-4-5-21-19(12-20)13-28(26(21)34)7-9-31(10-8-28)16-25(33)32(14-18-2-3-18)15-24-29-23-6-11-37-17-22(23)27(35)30-24/h4-5,12,18H,2-3,6-11,13-17H2,1H3,(H,29,30,35)
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n/an/a 10n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191173
PNG
(US9181266, 42)
Show SMILES C[C@@H](C1CC1)N(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
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n/an/a 10n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191162
PNG
(US9181266, 28)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(C[C@@H]2CCCO2)Cc2nc3CCOCc3c(=O)[nH]2)CC1 |r|
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n/an/a 10n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191176
PNG
(US9181266, 45)
Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H27F3N4O4/c25-17-3-1-15(2-4-17)23(33)16-5-8-30(9-6-16)13-22(32)31(11-20(26)27)12-21-28-19-7-10-35-14-18(19)24(34)29-21/h1-4,16,20H,5-14H2,(H,28,29,34)
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n/an/a 10.2n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191225
PNG
(US9181266, 94)
Show SMILES COc1ccc(cc1Cl)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C23H27ClN4O5/c1-32-19-3-2-15(10-17(19)24)22(30)14-4-7-28(8-5-14)12-21(29)25-11-20-26-18-6-9-33-13-16(18)23(31)27-20/h2-3,10,14H,4-9,11-13H2,1H3,(H,25,29)(H,26,27,31)
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n/an/a 10.5n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50439792
PNG
(CHEMBL2419705 | US9181266, 24)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C26H31FN4O4/c27-20-5-3-18(4-6-20)25(33)19-7-10-30(11-8-19)15-24(32)31(13-17-1-2-17)14-23-28-22-9-12-35-16-21(22)26(34)29-23/h3-6,17,19H,1-2,7-16H2,(H,28,29,34)
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n/an/a 10.7n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50439795
PNG
(CHEMBL2419702 | US9181266, 34)
Show SMILES CCCN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H31FN4O4/c1-2-10-30(14-22-27-21-9-13-34-16-20(21)25(33)28-22)23(31)15-29-11-7-18(8-12-29)24(32)17-3-5-19(26)6-4-17/h3-6,18H,2,7-16H2,1H3,(H,27,28,33)
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n/an/a 11n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191198
PNG
(US9181266, 67)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C23H28N4O5/c1-31-17-4-2-15(3-5-17)22(29)16-6-9-27(10-7-16)13-21(28)24-12-20-25-19-8-11-32-14-18(19)23(30)26-20/h2-5,16H,6-14H2,1H3,(H,24,28)(H,25,26,30)
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n/an/a 12n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191217
PNG
(US9181266, 86)
Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CCC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C27H34N4O5/c32-25(28-14-24-29-23-10-13-35-17-22(23)27(34)30-24)15-31-11-8-20(9-12-31)26(33)19-4-6-21(7-5-19)36-16-18-2-1-3-18/h4-7,18,20H,1-3,8-17H2,(H,28,32)(H,29,30,34)
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n/an/a 12n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191220
PNG
(US9181266, 89)
Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCCC2CC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C27H34N4O5/c32-25(28-15-24-29-23-10-13-35-17-22(23)27(34)30-24)16-31-11-7-20(8-12-31)26(33)19-3-5-21(6-4-19)36-14-9-18-1-2-18/h3-6,18,20H,1-2,7-17H2,(H,28,32)(H,29,30,34)
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n/an/a 12n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191224
PNG
(US9181266, 93)
Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C24H30N4O5/c1-15-11-17(3-4-20(15)32-2)23(30)16-5-8-28(9-6-16)13-22(29)25-12-21-26-19-7-10-33-14-18(19)24(31)27-21/h3-4,11,16H,5-10,12-14H2,1-2H3,(H,25,29)(H,26,27,31)
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n/an/a 12n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191181
PNG
(US9181266, 50)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC(F)F)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C25H30F2N4O5/c1-35-18-4-2-16(3-5-18)24(33)17-6-9-30(10-7-17)14-23(32)31(12-21(26)27)13-22-28-20-8-11-36-15-19(20)25(34)29-22/h2-5,17,21H,6-15H2,1H3,(H,28,29,34)
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n/an/a 12n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191215
PNG
(US9181266, 84)
Show SMILES CCCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C25H32N4O5/c1-2-12-34-19-5-3-17(4-6-19)24(31)18-7-10-29(11-8-18)15-23(30)26-14-22-27-21-9-13-33-16-20(21)25(32)28-22/h3-6,18H,2,7-16H2,1H3,(H,26,30)(H,27,28,32)
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n/an/a 13n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191160
PNG
(US9181266, 25)
Show SMILES CC[C@H](C)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
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n/an/a 13n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191165
PNG
(US9181266, 32)
Show SMILES CC[C@@H](C)N(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
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n/an/a 13n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191164
PNG
(US9181266, 31)
Show SMILES CC[C@H](C)N(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
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n/an/a 13n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191185
PNG
(US9181266, 54)
Show SMILES COCCN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C26H34N4O6/c1-34-14-12-30(15-23-27-22-9-13-36-17-21(22)26(33)28-23)24(31)16-29-10-7-19(8-11-29)25(32)18-3-5-20(35-2)6-4-18/h3-6,19H,7-17H2,1-2H3,(H,27,28,33)
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n/an/a 14n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM191179
PNG
(US9181266, 48)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2nc3CCOCc3c(=O)[nH]2)CC(F)(F)F)CC1
Show InChI InChI=1S/C24H26F4N4O4/c25-17-3-1-15(2-4-17)22(34)16-5-8-31(9-6-16)12-21(33)32(14-24(26,27)28)11-20-29-19-7-10-36-13-18(19)23(35)30-20/h1-4,16H,5-14H2,(H,29,30,35)
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n/an/a 14n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
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