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Compile Data Set for Download or QSAR

Found 129 hits from Cadila Healthcare Limited   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hypoxia-inducible factor prolyl hydroxylase


(Homo sapiens (Human))
BDBM50385806
PNG
(CHEMBL2041193)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-14-34-27(21)19-36-16-12-32(13-17-36)30(41)37(31(42)38(32)28-11-15-33-20-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-11,14-15,18,20H,12-13,16-17,19H2,1-2H3,(H,39,40)
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n/an/a 0.200n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM50385806
PNG
(CHEMBL2041193)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-14-34-27(21)19-36-16-12-32(13-17-36)30(41)37(31(42)38(32)28-11-15-33-20-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-11,14-15,18,20H,12-13,16-17,19H2,1-2H3,(H,39,40)
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n/an/a 0.200n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD1 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234970
PNG
(US9556148, 41 | n-(cyanomethyl)-4-(5-methyl-2-((4-...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCC2=O)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C29H31N7O2/c1-20-19-32-29(34-27(20)21-4-6-22(7-5-21)28(38)31-15-14-30)33-23-8-10-24(11-9-23)35-17-12-25(13-18-35)36-16-2-3-26(36)37/h4-11,19,25H,2-3,12-13,15-18H2,1H3,(H,31,38)(H,32,33,34)
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n/an/a 0.600n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50316499
PNG
(CHEMBL4167582)
Show SMILES OC(=O)CCNC(=O)c1cc(O)c(cn1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21N3O5/c27-19-13-18(23(31)24-12-11-20(28)29)25-14-17(19)22(30)26-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,21H,11-12H2,(H,24,31)(H,25,27)(H,26,30)(H,28,29)
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n/an/a 0.620n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50316852
PNG
(CHEMBL4171446)
Show SMILES Oc1nc(ncc1NC(=O)Cc1ccc(cc1)-c1ccccc1)-n1cccn1
Show InChI InChI=1S/C21H17N5O2/c27-19(13-15-7-9-17(10-8-15)16-5-2-1-3-6-16)24-18-14-22-21(25-20(18)28)26-12-4-11-23-26/h1-12,14H,13H2,(H,24,27)(H,22,25,28)
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n/an/a 0.700n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase


(Homo sapiens (Human))
BDBM50316816
PNG
(CHEMBL4161223)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3OC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N
Show InChI InChI=1S/C22H14F3N3O6/c23-22(24,25)12-3-1-11(2-4-12)15-9-28-18-13(5-10(7-26)6-14(18)34-15)19(31)17(21(28)33)20(32)27-8-16(29)30/h1-6,15,31H,8-9H2,(H,27,32)(H,29,30)
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n/an/a 0.900n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase


(Homo sapiens (Human))
BDBM50321025
PNG
(CHEMBL4170335)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3NC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N
Show InChI InChI=1S/C22H15F3N4O5/c23-22(24,25)12-3-1-11(2-4-12)15-9-29-18-13(5-10(7-26)6-14(18)28-15)19(32)17(21(29)34)20(33)27-8-16(30)31/h1-6,15,28,32H,8-9H2,(H,27,33)(H,30,31)
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n/an/a 1n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Egl nine homolog 3


(Homo sapiens (Human))
BDBM50446903
PNG
(CHEMBL3115293)
Show SMILES COc1ccc(nc1OC)-n1c(=S)[nH]c2cc(sc2c1=O)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN4O4S2/c1-29-14-7-8-16(25-19(14)30-2)26-20(28)17-13(24-21(26)31)9-15(32-17)18(27)23-10-11-3-5-12(22)6-4-11/h3-9H,10H2,1-2H3,(H,23,27)(H,24,31)
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Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD3 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Egl nine homolog 3


(Homo sapiens (Human))
BDBM50317545
PNG
(CHEMBL4173371)
Show SMILES COc1ccc(nc1OC)-n1c(=O)[nH]c2cc(sc2c1=O)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN4O5S/c1-30-14-7-8-16(25-19(14)31-2)26-20(28)17-13(24-21(26)29)9-15(32-17)18(27)23-10-11-3-5-12(22)6-4-11/h3-9H,10H2,1-2H3,(H,23,27)(H,24,29)
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Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD3 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234972
PNG
(US9556148, 43 | n-(cyanomethyl)-4-(5-methyl-2-((4-...)
Show SMILES Cc1nnc(o1)C1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C28H28N8O2/c1-18-17-31-28(33-25(18)20-3-5-21(6-4-20)26(37)30-14-13-29)32-23-7-9-24(10-8-23)36-15-11-22(12-16-36)27-35-34-19(2)38-27/h3-10,17,22H,11-12,14-16H2,1-2H3,(H,30,37)(H,31,32,33)
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n/an/a 1.20n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234969
PNG
(US9556148, 40 | n-(cyanomethyl)-4-(5-methyl-2-((4-...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C29H33N7O2/c1-21-20-32-29(34-27(21)22-2-4-23(5-3-22)28(37)31-13-12-30)33-24-6-8-25(9-7-24)35-14-10-26(11-15-35)36-16-18-38-19-17-36/h2-9,20,26H,10-11,13-19H2,1H3,(H,31,37)(H,32,33,34)
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n/an/a 1.30n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase


(Homo sapiens (Human))
BDBM50316816
PNG
(CHEMBL4161223)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3OC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N
Show InChI InChI=1S/C22H14F3N3O6/c23-22(24,25)12-3-1-11(2-4-12)15-9-28-18-13(5-10(7-26)6-14(18)34-15)19(31)17(21(28)33)20(32)27-8-16(29)30/h1-6,15,31H,8-9H2,(H,27,32)(H,29,30)
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n/an/a 1.30n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50316844
PNG
(CHEMBL4162417)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3SC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N
Show InChI InChI=1S/C22H14F3N3O5S/c23-22(24,25)12-3-1-11(2-4-12)15-9-28-18-13(5-10(7-26)6-14(18)34-15)19(31)17(21(28)33)20(32)27-8-16(29)30/h1-6,15,31H,8-9H2,(H,27,32)(H,29,30)
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n/an/a 1.5n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234967
PNG
(4-(2-((4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)p...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2C3CCC2COC3)n1
Show InChI InChI=1/C30H33N7O2/c31-14-16-32-29(38)22-3-1-21(2-4-22)28-11-15-33-30(35-28)34-23-5-7-24(8-6-23)36-17-12-25(13-18-36)37-26-9-10-27(37)20-39-19-26/h1-8,11,15,25-27H,9-10,12-13,16-20H2,(H,32,38)(H,33,34,35)
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n/an/a 1.5n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Egl nine homolog 3


(Homo sapiens (Human))
BDBM50385806
PNG
(CHEMBL2041193)
Show SMILES Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
Show InChI InChI=1S/C32H30N6O4/c1-21-4-3-14-34-27(21)19-36-16-12-32(13-17-36)30(41)37(31(42)38(32)28-11-15-33-20-35-28)25-8-5-23(6-9-25)26-10-7-24(29(39)40)18-22(26)2/h3-11,14-15,18,20H,12-13,16-17,19H2,1-2H3,(H,39,40)
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n/an/a 1.60n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD3 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50317465
PNG
(CHEMBL4165865)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3OCCn(c23)c1=O)C#N
Show InChI InChI=1S/C15H11N3O6/c16-5-7-3-8-12-9(4-7)24-2-1-18(12)15(23)11(13(8)21)14(22)17-6-10(19)20/h3-4,21H,1-2,6H2,(H,17,22)(H,19,20)
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n/an/a 1.80n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase


(Homo sapiens (Human))
BDBM50318459
PNG
(CHEMBL4159227)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(cc3CC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F)C#N
Show InChI InChI=1S/C23H16F3N3O5/c24-23(25,26)15-3-1-12(2-4-15)14-7-13-5-11(8-27)6-16-19(13)29(10-14)22(34)18(20(16)32)21(33)28-9-17(30)31/h1-6,14,32H,7,9-10H2,(H,28,33)(H,30,31)
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n/an/a 1.90n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234971
PNG
(4-(2-((4-(4-(1-oxa-8-azaspiro[4.5]decan-8-yl)piper...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCCO3)CC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C33H39N7O2/c1-24-23-36-32(38-30(24)25-3-5-26(6-4-25)31(41)35-17-16-34)37-27-7-9-28(10-8-27)39-18-11-29(12-19-39)40-20-14-33(15-21-40)13-2-22-42-33/h3-10,23,29H,2,11-15,17-22H2,1H3,(H,35,41)(H,36,37,38)
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n/an/a 2.5n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234970
PNG
(US9556148, 41 | n-(cyanomethyl)-4-(5-methyl-2-((4-...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCC2=O)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C29H31N7O2/c1-20-19-32-29(34-27(20)21-4-6-22(7-5-21)28(38)31-15-14-30)33-23-8-10-24(11-9-23)35-17-12-25(13-18-35)36-16-2-3-26(36)37/h4-11,19,25H,2-3,12-13,15-18H2,1H3,(H,31,38)(H,32,33,34)
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n/an/a 2.5n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234972
PNG
(US9556148, 43 | n-(cyanomethyl)-4-(5-methyl-2-((4-...)
Show SMILES Cc1nnc(o1)C1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C28H28N8O2/c1-18-17-31-28(33-25(18)20-3-5-21(6-4-20)26(37)30-14-13-29)32-23-7-9-24(10-8-23)36-15-11-22(12-16-36)27-35-34-19(2)38-27/h3-10,17,22H,11-12,14-16H2,1-2H3,(H,30,37)(H,31,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234969
PNG
(US9556148, 40 | n-(cyanomethyl)-4-(5-methyl-2-((4-...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C29H33N7O2/c1-21-20-32-29(34-27(21)22-2-4-23(5-3-22)28(37)31-13-12-30)33-24-6-8-25(9-7-24)35-14-10-26(11-15-35)36-16-18-38-19-17-36/h2-9,20,26H,10-11,13-19H2,1H3,(H,31,37)(H,32,33,34)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Egl nine homolog 2


(Homo sapiens (Human))
BDBM50317547
PNG
(CHEMBL4163812)
Show SMILES OC(=O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O
Show InChI InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,26H,1-11H2,(H,20,25)(H,23,24)
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n/an/a 3.5n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of PHD1 (unknown origin)


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234943
PNG
(US9556148, 2 | n-(cyanomethyl)-4-(2-((4-(4-(1,1-di...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCS2(=O)=O)n1
Show InChI InChI=1S/C27H29N7O3S/c28-13-15-29-26(35)21-4-2-20(3-5-21)25-10-14-30-27(32-25)31-22-6-8-23(9-7-22)33-17-11-24(12-18-33)34-16-1-19-38(34,36)37/h2-10,14,24H,1,11-12,15-19H2,(H,29,35)(H,30,31,32)
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n/an/a 4n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350280
PNG
(2-(4-Hydroxy-2-oxo-1-(3'- (trifluoromethoxy)-[1,1'...)
Show SMILES OC(=O)CNC(=O)c1c(O)c2CSCc2n(-c2ccc(cc2)-c2cccc(OC(F)(F)F)c2)c1=O
Show InChI InChI=1S/C23H17F3N2O6S/c24-23(25,26)34-15-3-1-2-13(8-15)12-4-6-14(7-5-12)28-17-11-35-10-16(17)20(31)19(22(28)33)21(32)27-9-18(29)30/h1-8,31H,9-11H2,(H,27,32)(H,29,30)
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Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234971
PNG
(4-(2-((4-(4-(1-oxa-8-azaspiro[4.5]decan-8-yl)piper...)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCCO3)CC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C33H39N7O2/c1-24-23-36-32(38-30(24)25-3-5-26(6-4-25)31(41)35-17-16-34)37-27-7-9-28(10-8-27)39-18-11-29(12-19-39)40-20-14-33(15-21-40)13-2-22-42-33/h3-10,23,29H,2,11-15,17-22H2,1H3,(H,35,41)(H,36,37,38)
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n/an/a 4.30n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234967
PNG
(4-(2-((4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)p...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2C3CCC2COC3)n1
Show InChI InChI=1/C30H33N7O2/c31-14-16-32-29(38)22-3-1-21(2-4-22)28-11-15-33-30(35-28)34-23-5-7-24(8-6-23)36-17-12-25(13-18-36)37-26-9-10-27(37)20-39-19-26/h1-8,11,15,25-27H,9-10,12-13,16-20H2,(H,32,38)(H,33,34,35)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234973
PNG
(US9556148, 44 | n-(cyanomethyl)-4-(5-fluoro-2-((4-...)
Show SMILES Fc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C28H30FN7O2/c29-25-19-32-28(34-26(25)20-1-3-21(4-2-20)27(37)31-12-11-30)33-22-5-7-23(8-6-22)35-13-9-24(10-14-35)36-15-17-38-18-16-36/h1-8,19,24H,9-10,12-18H2,(H,31,37)(H,32,33,34)
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n/an/a 4.90n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234957
PNG
(4-(2-((4-(4-(1-oxa-8-azaspiro[4.5]decan-8-yl)piper...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCCO3)CC2)n1
Show InChI InChI=1S/C32H37N7O2/c33-16-18-34-30(40)25-4-2-24(3-5-25)29-10-17-35-31(37-29)36-26-6-8-27(9-7-26)38-19-11-28(12-20-38)39-21-14-32(15-22-39)13-1-23-41-32/h2-10,17,28H,1,11-15,18-23H2,(H,34,40)(H,35,36,37)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234968
PNG
(4-(2-((4-(4-(6-acetyl-3,6-diazabicyclo[3.1.1]hepta...)
Show SMILES CC(=O)N1C2CC1CN(C2)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1/C31H34N8O2/c1-21(40)39-27-18-28(39)20-38(19-27)26-11-16-37(17-12-26)25-8-6-24(7-9-25)35-31-34-14-10-29(36-31)22-2-4-23(5-3-22)30(41)33-15-13-32/h2-10,14,26-28H,11-12,15-20H2,1H3,(H,33,41)(H,34,35,36)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234957
PNG
(4-(2-((4-(4-(1-oxa-8-azaspiro[4.5]decan-8-yl)piper...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCCO3)CC2)n1
Show InChI InChI=1S/C32H37N7O2/c33-16-18-34-30(40)25-4-2-24(3-5-25)29-10-17-35-31(37-29)36-26-6-8-27(9-7-26)38-19-11-28(12-20-38)39-21-14-32(15-22-39)13-1-23-41-32/h2-10,17,28H,1,11-15,18-23H2,(H,34,40)(H,35,36,37)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234959
PNG
(US9556148, 27 | n-(cyanomethyl)-4-(2-((4-(4-(tetra...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CC3OCCOC3C2)n1
Show InChI InChI=1/C30H33N7O3/c31-12-14-32-29(38)22-3-1-21(2-4-22)26-9-13-33-30(35-26)34-23-5-7-24(8-6-23)36-15-10-25(11-16-36)37-19-27-28(20-37)40-18-17-39-27/h1-9,13,25,27-28H,10-11,14-20H2,(H,32,38)(H,33,34,35)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234943
PNG
(US9556148, 2 | n-(cyanomethyl)-4-(2-((4-(4-(1,1-di...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCS2(=O)=O)n1
Show InChI InChI=1S/C27H29N7O3S/c28-13-15-29-26(35)21-4-2-20(3-5-21)25-10-14-30-27(32-25)31-22-6-8-23(9-7-22)33-17-11-24(12-18-33)34-16-1-19-38(34,36)37/h2-10,14,24H,1,11-12,15-19H2,(H,29,35)(H,30,31,32)
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n/an/a 5.10n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase


(Homo sapiens (Human))
BDBM50318681
PNG
(CHEMBL4162309)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCCc2n(Cc2nc3ccccc3s2)c1=O
Show InChI InChI=1S/C19H17N3O6S/c23-15(24)7-20-18(26)16-17(25)10-9-28-6-5-12(10)22(19(16)27)8-14-21-11-3-1-2-4-13(11)29-14/h1-4,25H,5-9H2,(H,20,26)(H,23,24)
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n/an/a 5.40n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase


(Homo sapiens (Human))
BDBM50317547
PNG
(CHEMBL4163812)
Show SMILES OC(=O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O
Show InChI InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,26H,1-11H2,(H,20,25)(H,23,24)
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Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of PHD3 (unknown origin)


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234942
PNG
(US9556148, 1 | n-(cyanomethyl)-4-(2-((4-(4-(2-oxop...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCCC2=O)n1
Show InChI InChI=1S/C28H29N7O2/c29-14-16-30-27(37)21-5-3-20(4-6-21)25-11-15-31-28(33-25)32-22-7-9-23(10-8-22)34-18-12-24(13-19-34)35-17-1-2-26(35)36/h3-11,15,24H,1-2,12-13,16-19H2,(H,30,37)(H,31,32,33)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50317468
PNG
(CHEMBL4169558)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCc2n(-c2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C17H13F3N2O6/c18-17(19,20)8-1-3-9(4-2-8)22-11-7-28-6-10(11)14(25)13(16(22)27)15(26)21-5-12(23)24/h1-4,25H,5-7H2,(H,21,26)(H,23,24)
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Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234960
PNG
(US9556148, 28 | n-(cyanomethyl)-4-(2-((4-(4-(2-oxo...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCC3(CCC(=O)O3)CC2)n1
Show InChI InChI=1S/C32H35N7O3/c33-16-18-34-30(41)24-3-1-23(2-4-24)28-10-17-35-31(37-28)36-25-5-7-26(8-6-25)38-19-11-27(12-20-38)39-21-14-32(15-22-39)13-9-29(40)42-32/h1-8,10,17,27H,9,11-15,18-22H2,(H,34,41)(H,35,36,37)
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Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234946
PNG
(US9556148, 3 | n-(cyanomethyl)-4-(2-((4-(4-morphol...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)n1
Show InChI InChI=1S/C28H31N7O2/c29-12-14-30-27(36)22-3-1-21(2-4-22)26-9-13-31-28(33-26)32-23-5-7-24(8-6-23)34-15-10-25(11-16-34)35-17-19-37-20-18-35/h1-9,13,25H,10-11,14-20H2,(H,30,36)(H,31,32,33)
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n/an/a 6.60n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234973
PNG
(US9556148, 44 | n-(cyanomethyl)-4-(5-fluoro-2-((4-...)
Show SMILES Fc1cnc(Nc2ccc(cc2)N2CCC(CC2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N
Show InChI InChI=1S/C28H30FN7O2/c29-25-19-32-28(34-26(25)20-1-3-21(4-2-20)27(37)31-12-11-30)33-22-5-7-23(8-6-22)35-13-9-24(10-14-35)36-15-17-38-18-16-36/h1-8,19,24H,9-10,12-18H2,(H,31,37)(H,32,33,34)
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n/an/a 6.70n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234966
PNG
(US9556148, 36 | n-(cyanomethyl)-4-(2-((4-(4-(5-met...)
Show SMILES Cc1nnc(o1)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C26H25N9O2/c1-18-32-33-26(37-18)35-16-14-34(15-17-35)22-8-6-21(7-9-22)30-25-29-12-10-23(31-25)19-2-4-20(5-3-19)24(36)28-13-11-27/h2-10,12H,13-17H2,1H3,(H,28,36)(H,29,30,31)
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n/an/a 6.70n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234956
PNG
(4-(2-((4-(4-(1,3,4-oxadiazol-2-yl)piperidin-1-yl)p...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)c2nnco2)n1
Show InChI InChI=1S/C26H24N8O2/c27-12-14-28-24(35)19-3-1-18(2-4-19)23-9-13-29-26(32-23)31-21-5-7-22(8-6-21)34-15-10-20(11-16-34)25-33-30-17-36-25/h1-9,13,17,20H,10-11,14-16H2,(H,28,35)(H,29,31,32)
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n/an/a 7n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase


(Homo sapiens (Human))
BDBM50318913
PNG
(CHEMBL4177137)
Show SMILES CN1Cc2c(CC1=O)c(O)c(C(=O)NCC(O)=O)c(=O)n2Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClN3O6/c1-22-9-13-12(6-14(22)24)17(27)16(18(28)21-7-15(25)26)19(29)23(13)8-10-2-4-11(20)5-3-10/h2-5,27H,6-9H2,1H3,(H,21,28)(H,25,26)
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PubMed
n/an/a 7.30n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQ...


J Med Chem 61: 6964-6982 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234951
PNG
(US9556148, 9 | n-(cyanomethyl)-4-(2-((4-(4-(1,1-di...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C2CCS(=O)(=O)C2)n1
Show InChI InChI=1/C27H29N7O3S/c28-11-13-29-26(35)21-3-1-20(2-4-21)25-9-12-30-27(32-25)31-22-5-7-23(8-6-22)33-14-16-34(17-15-33)24-10-18-38(36,37)19-24/h1-9,12,24H,10,13-19H2,(H,29,35)(H,30,31,32)
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n/an/a 8n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234958
PNG
(US9556148, 25 | n-(cyanomethyl)-4-(2-((4-(4-(5-met...)
Show SMILES Cc1nnc(o1)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C27H26N8O2/c1-18-33-34-26(37-18)21-11-16-35(17-12-21)23-8-6-22(7-9-23)31-27-30-14-10-24(32-27)19-2-4-20(5-3-19)25(36)29-15-13-28/h2-10,14,21H,11-12,15-17H2,1H3,(H,29,36)(H,30,31,32)
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n/an/a 8n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM234954
PNG
(4-(2-((4-(4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CC3CC(C2)O3)n1
Show InChI InChI=1/C29H31N7O2/c30-12-14-31-28(37)21-3-1-20(2-4-21)27-9-13-32-29(34-27)33-22-5-7-23(8-6-22)35-15-10-24(11-16-35)36-18-25-17-26(19-36)38-25/h1-9,13,24-26H,10-11,14-19H2,(H,31,37)(H,32,33,34)
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n/an/a 8n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234968
PNG
(4-(2-((4-(4-(6-acetyl-3,6-diazabicyclo[3.1.1]hepta...)
Show SMILES CC(=O)N1C2CC1CN(C2)C1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1/C31H34N8O2/c1-21(40)39-27-18-28(39)20-38(19-27)26-11-16-37(17-12-26)25-8-6-24(7-9-25)35-31-34-14-10-29(36-31)22-2-4-23(5-3-22)30(41)33-15-13-32/h2-10,14,26-28H,11-12,15-20H2,1H3,(H,33,41)(H,34,35,36)
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n/an/a 8.80n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234955
PNG
(US9556148, 18 | n-(cyanomethyl)-4-(2-((4-(4-(2-oxo...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CCNC2=O)n1
Show InChI InChI=1S/C27H28N8O2/c28-12-14-29-25(36)20-3-1-19(2-4-20)24-9-13-30-26(33-24)32-21-5-7-22(8-6-21)34-16-10-23(11-17-34)35-18-15-31-27(35)37/h1-9,13,23H,10-11,14-18H2,(H,29,36)(H,31,37)(H,30,32,33)
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n/an/a 9n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234966
PNG
(US9556148, 36 | n-(cyanomethyl)-4-(2-((4-(4-(5-met...)
Show SMILES Cc1nnc(o1)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C26H25N9O2/c1-18-32-33-26(37-18)35-16-14-34(15-17-35)22-8-6-21(7-9-22)30-25-29-12-10-23(31-25)19-2-4-20(5-3-19)24(36)28-13-11-27/h2-10,12H,13-17H2,1H3,(H,28,36)(H,29,30,31)
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n/an/a 9.20n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234956
PNG
(4-(2-((4-(4-(1,3,4-oxadiazol-2-yl)piperidin-1-yl)p...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)c2nnco2)n1
Show InChI InChI=1S/C26H24N8O2/c27-12-14-28-24(35)19-3-1-18(2-4-19)23-9-13-29-26(32-23)31-21-5-7-22(8-6-21)34-15-10-20(11-16-34)25-33-30-17-36-25/h1-9,13,17,20H,10-11,14-16H2,(H,28,35)(H,29,31,32)
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n/an/a 10n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM234959
PNG
(US9556148, 27 | n-(cyanomethyl)-4-(2-((4-(4-(tetra...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)N2CC3OCCOC3C2)n1
Show InChI InChI=1/C30H33N7O3/c31-12-14-32-29(38)22-3-1-21(2-4-22)26-9-13-33-30(35-26)34-23-5-7-24(8-6-23)36-15-10-25(11-16-36)37-19-27-28(20-37)40-18-17-39-27/h1-9,13,25,27-28H,10-11,14-20H2,(H,32,38)(H,33,34,35)
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n/an/a 10n/an/an/an/an/a25



Cadila Healthcare Limited

US Patent


Assay Description
NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng ...


US Patent US9556148 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ41XJ
More data for this
Ligand-Target Pair
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