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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'bunker' and Initial = 'kd'   
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
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
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0.0200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) by Pfizer mobility shift assay


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human wild type EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of LTK (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FER


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of FER (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NTRK2 (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fes/Fps


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of FES (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PTK2B (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNK2 (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PTK2 (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NTRK1 (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/s2
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NTRK3 (unknown origin) using Km levels of ATP


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/s2
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n/an/a 80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human wild type EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50187691
PNG
(CHEMBL3828178 | US9951026, 1-1)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1nn(Cc2ccc(F)cc2)c2cc(Cl)ccc12)\C#N
Show InChI InChI=1S/C24H15ClFN3O2/c25-19-7-10-21-22(11-18(13-27)16-3-5-17(6-4-16)24(30)31)28-29(23(21)12-19)14-15-1-8-20(26)9-2-15/h1-12H,14H2,(H,30,31)/b18-11+
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US Patent
n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389135
PNG
(US9951026, 1-2)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1nn(Cc2ccccc2)c2cc(Cl)ccc12)\C#N
Show InChI InChI=1S/C24H16ClN3O2/c25-20-10-11-21-22(12-19(14-26)17-6-8-18(9-7-17)24(29)30)27-28(23(21)13-20)15-16-4-2-1-3-5-16/h1-13H,15H2,(H,29,30)/b19-12+
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389142
PNG
(US9951026, 1-7)
Show SMILES COc1ccc(Cn2nc(\C=C(/C#N)c3ccc(cc3)C(O)=O)c3ccc(Cl)cc23)cn1
Show InChI InChI=1S/C24H17ClN4O3/c1-32-23-9-2-15(13-27-23)14-29-22-11-19(25)7-8-20(22)21(28-29)10-18(12-26)16-3-5-17(6-4-16)24(30)31/h2-11,13H,14H2,1H3,(H,30,31)/b18-10+
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n/an/a<500n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389163
PNG
(US9951026, 3-4)
Show SMILES COc1ccc(Cn2cc(\C=C(/C#N)c3ccc(cc3)C(O)=O)c3ccc(Cl)nc23)cn1
Show InChI InChI=1S/C24H17ClN4O3/c1-32-22-9-2-15(12-27-22)13-29-14-19(20-7-8-21(25)28-23(20)29)10-18(11-26)16-3-5-17(6-4-16)24(30)31/h2-10,12,14H,13H2,1H3,(H,30,31)/b18-10+
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389153
PNG
(US9951026, 3-1)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1cn(Cc2ccc(F)cc2)c2ncccc12)\C#N
Show InChI InChI=1S/C24H16FN3O2/c25-21-9-3-16(4-10-21)14-28-15-20(22-2-1-11-27-23(22)28)12-19(13-26)17-5-7-18(8-6-17)24(29)30/h1-12,15H,14H2,(H,29,30)/b19-12+
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389141
PNG
(US9951026, 1-6)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1nn(Cc2ccc(Cl)nc2)c2cc(Cl)ccc12)\C#N
Show InChI InChI=1S/C23H14Cl2N4O2/c24-18-6-7-19-20(9-17(11-26)15-2-4-16(5-3-15)23(30)31)28-29(21(19)10-18)13-14-1-8-22(25)27-12-14/h1-10,12H,13H2,(H,30,31)/b17-9+
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389164
PNG
(US9951026, 5-1)
Show SMILES CCCn1cc(cn1)-n1c(C)c(\C=C(/C#N)c2ccc(cc2)C(O)=O)c2ccsc12
Show InChI InChI=1S/C23H20N4O2S/c1-3-9-26-14-19(13-25-26)27-15(2)21(20-8-10-30-22(20)27)11-18(12-24)16-4-6-17(7-5-16)23(28)29/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,28,29)/b18-11+
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PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389140
PNG
(US9951026, 1-5)
Show SMILES Cn1ccc(Cn2nc(\C=C(/C#N)c3ccc(cc3)C(O)=O)c3ccc(Cl)cc23)n1
Show InChI InChI=1S/C22H16ClN5O2/c1-27-9-8-18(25-27)13-28-21-11-17(23)6-7-19(21)20(26-28)10-16(12-24)14-2-4-15(5-3-14)22(29)30/h2-11H,13H2,1H3,(H,29,30)/b16-10+
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389143
PNG
(US9951026, 1-8)
Show SMILES OC(=O)c1ccc(\C=C\c2nn(Cc3ccc(F)cc3)c3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C23H16ClFN2O2/c24-18-8-11-20-21(12-5-15-1-6-17(7-2-15)23(28)29)26-27(22(20)13-18)14-16-3-9-19(25)10-4-16/h1-13H,14H2,(H,28,29)/b12-5+
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.03E+4n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389160
PNG
(US9951026, 3-3)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1cn(Cc2ccc(F)cc2)c2nc(Cl)ccc12)\C#N
Show InChI InChI=1S/C24H15ClFN3O2/c25-22-10-9-21-19(11-18(12-27)16-3-5-17(6-4-16)24(30)31)14-29(23(21)28-22)13-15-1-7-20(26)8-2-15/h1-11,14H,13H2,(H,30,31)/b18-11+
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.03E+4n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389159
PNG
(US9951026, 3-2)
Show SMILES COc1ccc(Cn2cc(\C=C(/C#N)c3ccc(cc3)C(O)=O)c3cccnc23)cn1
Show InChI InChI=1S/C24H18N4O3/c1-31-22-9-4-16(13-27-22)14-28-15-20(21-3-2-10-26-23(21)28)11-19(12-25)17-5-7-18(8-6-17)24(29)30/h2-11,13,15H,14H2,1H3,(H,29,30)/b19-11+
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.03E+4n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389139
PNG
(US9951026, 1-4)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1nn(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(Cl)ccc12)\C#N
Show InChI InChI=1S/C26H14ClF6N3O2/c27-20-5-6-21-22(9-17(12-34)15-1-3-16(4-2-15)24(37)38)35-36(23(21)11-20)13-14-7-18(25(28,29)30)10-19(8-14)26(31,32)33/h1-11H,13H2,(H,37,38)/b17-9+
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.03E+4n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM389138
PNG
(US9951026, 1-3)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1nn(Cc2cc(F)cc(F)c2)c2cc(Cl)ccc12)\C#N
Show InChI InChI=1S/C24H14ClF2N3O2/c25-18-5-6-21-22(9-17(12-28)15-1-3-16(4-2-15)24(31)32)29-30(23(21)10-18)13-14-7-19(26)11-20(27)8-14/h1-11H,13H2,(H,31,32)/b17-9+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.03E+4n/an/an/an/an/an/a



PHARMAKEA, INC.

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9951026 (2018)

More data for this
Ligand-Target Pair