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Patent code WO2022079616

Compile Data Set for Download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4-kinase


()
BDBM533765
PNG
(WO2022079616, Example 1.02 | tert-Butyl 5-(3-(4-ca...)
Show SMILES CN(C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1)c1ccc(Cl)c(c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H25ClN4O4/c1-27(2,3)36-26(35)20-14-19(9-10-22(20)28)31(4)25(34)18-11-12-32-23(13-18)21(15-30-32)16-5-7-17(8-6-16)24(29)33/h5-15H,1-4H3,(H2,29,33)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533775
PNG
(2-(Dimethylamino)-2-oxoethyl 5-(3-(4-carbamoylphen...)
Show SMILES CN(C)C(=O)COC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C27H24ClN5O5/c1-31(2)24(34)15-38-27(37)20-13-19(8-9-22(20)28)32(3)26(36)18-10-11-33-23(12-18)21(14-30-33)16-4-6-17(7-5-16)25(29)35/h4-14H,15H2,1-3H3,(H2,29,35)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533768
PNG
(Isobutyl 5-(3-(4-carbamoylphenyl)-N-methylpyrazolo...)
Show SMILES CC(C)COC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C27H25ClN4O4/c1-16(2)15-36-27(35)21-13-20(8-9-23(21)28)31(3)26(34)19-10-11-32-24(12-19)22(14-30-32)17-4-6-18(7-5-17)25(29)33/h4-14,16H,15H2,1-3H3,(H2,29,33)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533860
PNG
(Methyl 5-(3-(4-carbamoylphenyl)-N-methylpyrazolo[1...)
Show SMILES COC(=O)c1cc(ccc1OC(F)(F)F)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C25H19F3N4O5/c1-31(17-7-8-21(37-25(26,27)28)18(12-17)24(35)36-2)23(34)16-9-10-32-20(11-16)19(13-30-32)14-3-5-15(6-4-14)22(29)33/h3-13H,1-2H3,(H2,29,33)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533813
PNG
(Methyl 2-chloro-5-(N-methyl-3-(2-methyl-4-(carbamo...)
Show SMILES COC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3C)C(N)=O)c2c1
Show InChI InChI=1S/C25H21ClN4O4/c1-14-10-15(23(27)31)4-6-18(14)20-13-28-30-9-8-16(11-22(20)30)24(32)29(2)17-5-7-21(26)19(12-17)25(33)34-3/h4-13H,1-3H3,(H2,27,31)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533782
PNG
(WO2022079616, Example 1.13 | isopropyl 5-(3-(4-car...)
Show SMILES CC(C)OC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C26H23ClN4O4/c1-15(2)35-26(34)20-13-19(8-9-22(20)27)30(3)25(33)18-10-11-31-23(12-18)21(14-29-31)16-4-6-17(7-5-16)24(28)32/h4-15H,1-3H3,(H2,28,32)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533773
PNG
(2,2,2-Trifluoroethyl 5-(3-(4-carbamoylphenyl)-N-me...)
Show SMILES CN(C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1)c1ccc(Cl)c(c1)C(=O)OCC(F)(F)F
Show InChI InChI=1S/C25H18ClF3N4O4/c1-32(17-6-7-20(26)18(11-17)24(36)37-13-25(27,28)29)23(35)16-8-9-33-21(10-16)19(12-31-33)14-2-4-15(5-3-14)22(30)34/h2-12H,13H2,1H3,(H2,30,34)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533772
PNG
(Ethyl 5-(3-(4-carbamoylphenyl)-N-methylpyrazolo[1,...)
Show SMILES CCOC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C25H21ClN4O4/c1-3-34-25(33)19-13-18(8-9-21(19)26)29(2)24(32)17-10-11-30-22(12-17)20(14-28-30)15-4-6-16(7-5-15)23(27)31/h4-14H,3H2,1-2H3,(H2,27,31)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533767
PNG
(2-(Methylthio)ethyl 5-(3-(4-carbamoylphenyl)-N-met...)
Show SMILES CSCCOC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C26H23ClN4O4S/c1-30(19-7-8-22(27)20(14-19)26(34)35-11-12-36-2)25(33)18-9-10-31-23(13-18)21(15-29-31)16-3-5-17(6-4-16)24(28)32/h3-10,13-15H,11-12H2,1-2H3,(H2,28,32)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533793
PNG
(2-Chloro-5-(N-methyl-3-(4-(methylcarbamoyl)phenyl)...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnn2ccc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(O)=O
Show InChI InChI=1S/C24H19ClN4O4/c1-26-22(30)15-5-3-14(4-6-15)19-13-27-29-10-9-16(11-21(19)29)23(31)28(2)17-7-8-20(25)18(12-17)24(32)33/h3-13H,1-2H3,(H,26,30)(H,32,33)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533863
PNG
(WO2022079616, Example 2.1)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnc2cnc(cn12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OC
Show InChI InChI=1S/C24H20ClN5O4/c1-26-22(31)15-6-4-14(5-7-15)20-11-28-21-12-27-19(13-30(20)21)23(32)29(2)16-8-9-18(25)17(10-16)24(33)34-3/h4-13H,1-3H3,(H,26,31)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533861
PNG
(Methyl 5-(N-methyl-3-(4-(methylcarbamoyl)phenyl)py...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnn2ccc(cc12)C(=O)N(C)c1ccc(OC(F)(F)F)c(c1)C(=O)OC
Show InChI InChI=1S/C26H21F3N4O5/c1-30-23(34)16-6-4-15(5-7-16)20-14-31-33-11-10-17(12-21(20)33)24(35)32(2)18-8-9-22(38-26(27,28)29)19(13-18)25(36)37-3/h4-14H,1-3H3,(H,30,34)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533790
PNG
(Methyl 2-chloro-5-(N-methyl-3-(4-(methylcarbamoyl)...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnn2ccc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OC
Show InChI InChI=1S/C25H21ClN4O4/c1-27-23(31)16-6-4-15(5-7-16)20-14-28-30-11-10-17(12-22(20)30)24(32)29(2)18-8-9-21(26)19(13-18)25(33)34-3/h4-14H,1-3H3,(H,27,31)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533786
PNG
(WO2022079616, Example 1.15 | rac-(Tetrahydrofuran-...)
Show SMILES CN(C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1)c1ccc(Cl)c(c1)C(=O)OCC1CCCO1
Show InChI InChI=1S/C28H25ClN4O5/c1-32(20-8-9-24(29)22(14-20)28(36)38-16-21-3-2-12-37-21)27(35)19-10-11-33-25(13-19)23(15-31-33)17-4-6-18(7-5-17)26(30)34/h4-11,13-15,21H,2-3,12,16H2,1H3,(H2,30,34)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533865
PNG
(Methyl 2-(3-(4-carbamoylphenyl)-N-methylpyrazolo[1...)
Show SMILES COC(=O)c1cc(Cl)ccc1N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C24H19ClN4O4/c1-28(20-8-7-17(25)12-18(20)24(32)33-2)23(31)16-9-10-29-21(11-16)19(13-27-29)14-3-5-15(6-4-14)22(26)30/h3-13H,1-2H3,(H2,26,30)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533791
PNG
(WO2022079616, Example 1.17 | t-Butyl 2-chloro-5-(N...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnn2ccc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H27ClN4O4/c1-28(2,3)37-27(36)21-15-20(10-11-23(21)29)32(5)26(35)19-12-13-33-24(14-19)22(16-31-33)17-6-8-18(9-7-17)25(34)30-4/h6-16H,1-5H3,(H,30,34)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533774
PNG
(2-Methoxyethyl 5-(3-(4-carbamoylphenyl)-N-methylpy...)
Show SMILES COCCOC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C26H23ClN4O5/c1-30(19-7-8-22(27)20(14-19)26(34)36-12-11-35-2)25(33)18-9-10-31-23(13-18)21(15-29-31)16-3-5-17(6-4-16)24(28)32/h3-10,13-15H,11-12H2,1-2H3,(H2,28,32)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533766
PNG
(5-(3-(4-Carbamoylphenyl)-N-methylpyrazolo[1,5-a]py...)
Show SMILES CN(C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1)c1ccc(Cl)c(c1)C(O)=O
Show InChI InChI=1S/C23H17ClN4O4/c1-27(16-6-7-19(24)17(11-16)23(31)32)22(30)15-8-9-28-20(10-15)18(12-26-28)13-2-4-14(5-3-13)21(25)29/h2-12H,1H3,(H2,25,29)(H,31,32)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533864
PNG
(Methyl 2-chloro-5-(N-methyl-3-(4-(methylcarbamoyl)...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnn2cnc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OC
Show InChI InChI=1S/C24H20ClN5O4/c1-26-22(31)15-6-4-14(5-7-15)18-12-28-30-13-27-20(11-21(18)30)23(32)29(2)16-8-9-19(25)17(10-16)24(33)34-3/h4-13H,1-3H3,(H,26,31)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533812
PNG
(2-Morpholinoethyl 2-chloro-5-(N-methyl-3-(4-(methy...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnn2ccc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OCCN1CCOCC1
Show InChI InChI=1S/C30H30ClN5O5/c1-32-28(37)21-5-3-20(4-6-21)25-19-33-36-10-9-22(17-27(25)36)29(38)34(2)23-7-8-26(31)24(18-23)30(39)41-16-13-35-11-14-40-15-12-35/h3-10,17-19H,11-16H2,1-2H3,(H,32,37)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533769
PNG
(2-Methoxy-2-oxoethyl 5-(3-(4-carbamoylphenyl)-N-me...)
Show SMILES COC(=O)COC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C26H21ClN4O6/c1-30(18-7-8-21(27)19(12-18)26(35)37-14-23(32)36-2)25(34)17-9-10-31-22(11-17)20(13-29-31)15-3-5-16(6-4-15)24(28)33/h3-13H,14H2,1-2H3,(H2,28,33)
PDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533764
PNG
(N-(4-cyanophenyl)-N-methyl-3-(4-(trifluoromethyl)p...)
Show SMILES COC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C24H19ClN4O4/c1-28(17-7-8-20(25)18(12-17)24(32)33-2)23(31)16-9-10-29-21(11-16)19(13-27-29)14-3-5-15(6-4-14)22(26)30/h3-13H,1-2H3,(H2,26,30)
PDB

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WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533770
PNG
(Thiazol-5-ylmethyl 5-(3-(4-carbamoylphenyl)-N-meth...)
Show SMILES CN(C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1)c1ccc(Cl)c(c1)C(=O)OCc1cccs1
Show InChI InChI=1S/C28H21ClN4O4S/c1-32(20-8-9-24(29)22(14-20)28(36)37-16-21-3-2-12-38-21)27(35)19-10-11-33-25(13-19)23(15-31-33)17-4-6-18(7-5-17)26(30)34/h2-15H,16H2,1H3,(H2,30,34)
PDB

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WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533771
PNG
(2-Morpholinoethyl 5-(3-(4-carbamoylphenyl)-N-methy...)
Show SMILES CN(C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1)c1ccc(Cl)c(c1)C(=O)OCCN1CCOCC1
Show InChI InChI=1S/C29H28ClN5O5/c1-33(22-6-7-25(30)23(17-22)29(38)40-15-12-34-10-13-39-14-11-34)28(37)21-8-9-35-26(16-21)24(18-32-35)19-2-4-20(5-3-19)27(31)36/h2-9,16-18H,10-15H2,1H3,(H2,31,36)
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WIPO WO2022079616
n/an/a<100n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533793
PNG
(2-Chloro-5-(N-methyl-3-(4-(methylcarbamoyl)phenyl)...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnn2ccc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(O)=O
Show InChI InChI=1S/C24H19ClN4O4/c1-26-22(30)15-5-3-14(4-6-15)19-13-27-29-10-9-16(11-21(19)29)23(31)28(2)17-7-8-20(25)18(12-17)24(32)33/h3-13H,1-2H3,(H,26,30)(H,32,33)
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WIPO WO2022079616
n/an/a 550n/an/an/an/an/an/a



NOVARTIS AG

WIPO




WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533862
PNG
(Methyl 5-(3-(4-carbamoylphenyl)-N-methylpyrazolo[1...)
Show SMILES COC(=O)c1cc(ccc1C#N)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C25H19N5O4/c1-29(19-8-7-18(13-26)20(12-19)25(33)34-2)24(32)17-9-10-30-22(11-17)21(14-28-30)15-3-5-16(6-4-15)23(27)31/h3-12,14H,1-2H3,(H2,27,31)
PDB

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WIPO WO2022079616
n/an/a 550n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533764
PNG
(N-(4-cyanophenyl)-N-methyl-3-(4-(trifluoromethyl)p...)
Show SMILES COC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C24H19ClN4O4/c1-28(17-7-8-20(25)18(12-17)24(32)33-2)23(31)16-9-10-29-21(11-16)19(13-27-29)14-3-5-15(6-4-14)22(26)30/h3-13H,1-2H3,(H2,26,30)
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WIPO WO2022079616
n/an/a 550n/an/an/an/an/an/a



NOVARTIS AG

WIPO




WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533837
PNG
(Methyl 2-chloro-5-(N-methyl-3-(3-methyl-4-(carbamo...)
Show SMILES CNC(=O)c1ccc(cc1C)-c1cnn2ccc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OC
Show InChI InChI=1S/C26H23ClN4O4/c1-15-11-16(5-7-19(15)24(32)28-2)21-14-29-31-10-9-17(12-23(21)31)25(33)30(3)18-6-8-22(27)20(13-18)26(34)35-4/h5-14H,1-4H3,(H,28,32)
PDB

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WIPO WO2022079616
n/an/a 550n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533865
PNG
(Methyl 2-(3-(4-carbamoylphenyl)-N-methylpyrazolo[1...)
Show SMILES COC(=O)c1cc(Cl)ccc1N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C24H19ClN4O4/c1-28(20-8-7-17(25)12-18(20)24(32)33-2)23(31)16-9-10-29-21(11-16)19(13-27-29)14-3-5-15(6-4-14)22(26)30/h3-13H,1-2H3,(H2,26,30)
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WIPO WO2022079616
n/an/a 550n/an/an/an/an/an/a



NOVARTIS AG

WIPO




WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533783
PNG
(WO2022079616, Example 1.14 | rac-1-((Ethoxycarbony...)
Show SMILES CCOC(=O)OC(C)OC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C28H25ClN4O7/c1-4-38-28(37)40-16(2)39-27(36)21-14-20(9-10-23(21)29)32(3)26(35)19-11-12-33-24(13-19)22(15-31-33)17-5-7-18(8-6-17)25(30)34/h5-16H,4H2,1-3H3,(H2,30,34)
PDB

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WIPO WO2022079616
n/an/a 550n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533790
PNG
(Methyl 2-chloro-5-(N-methyl-3-(4-(methylcarbamoyl)...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnn2ccc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OC
Show InChI InChI=1S/C25H21ClN4O4/c1-27-23(31)16-6-4-15(5-7-16)20-14-28-30-11-10-17(12-22(20)30)24(32)29(2)18-8-9-21(26)19(13-18)25(33)34-3/h4-14H,1-3H3,(H,27,31)
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WIPO WO2022079616
n/an/a 550n/an/an/an/an/an/a



NOVARTIS AG

WIPO




WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533812
PNG
(2-Morpholinoethyl 2-chloro-5-(N-methyl-3-(4-(methy...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnn2ccc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OCCN1CCOCC1
Show InChI InChI=1S/C30H30ClN5O5/c1-32-28(37)21-5-3-20(4-6-21)25-19-33-36-10-9-22(17-27(25)36)29(38)34(2)23-7-8-26(31)24(18-23)30(39)41-16-13-35-11-14-40-15-12-35/h3-10,17-19H,11-16H2,1-2H3,(H,32,37)
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WIPO WO2022079616
n/an/a 550n/an/an/an/an/an/a



NOVARTIS AG

WIPO




WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533771
PNG
(2-Morpholinoethyl 5-(3-(4-carbamoylphenyl)-N-methy...)
Show SMILES CN(C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1)c1ccc(Cl)c(c1)C(=O)OCCN1CCOCC1
Show InChI InChI=1S/C29H28ClN5O5/c1-33(22-6-7-25(30)23(17-22)29(38)40-15-12-34-10-13-39-14-11-34)28(37)21-8-9-35-26(16-21)24(18-32-35)19-2-4-20(5-3-19)27(31)36/h2-9,16-18H,10-15H2,1H3,(H2,31,36)
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WIPO WO2022079616
n/an/a>1.00E+3n/an/an/an/an/an/a



NOVARTIS AG

WIPO




WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533857
PNG
(Methyl 2-chloro-5-(3-(4-(methylcarbamoyl)phenyl)py...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnn2ccc(cc12)C(=O)Nc1ccc(Cl)c(c1)C(=O)OC
Show InChI InChI=1S/C24H19ClN4O4/c1-26-22(30)15-5-3-14(4-6-15)19-13-27-29-10-9-16(11-21(19)29)23(31)28-17-7-8-20(25)18(12-17)24(32)33-2/h3-13H,1-2H3,(H,26,30)(H,28,31)
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WIPO WO2022079616
n/an/a>1.00E+3n/an/an/an/an/an/a



NOVARTIS AG

WIPO




WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533857
PNG
(Methyl 2-chloro-5-(3-(4-(methylcarbamoyl)phenyl)py...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnn2ccc(cc12)C(=O)Nc1ccc(Cl)c(c1)C(=O)OC
Show InChI InChI=1S/C24H19ClN4O4/c1-26-22(30)15-5-3-14(4-6-15)19-13-27-29-10-9-16(11-21(19)29)23(31)28-17-7-8-20(25)18(12-17)24(32)33-2/h3-13H,1-2H3,(H,26,30)(H,28,31)
PDB

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WIPO WO2022079616
n/an/a>1.00E+3n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533813
PNG
(Methyl 2-chloro-5-(N-methyl-3-(2-methyl-4-(carbamo...)
Show SMILES COC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3C)C(N)=O)c2c1
Show InChI InChI=1S/C25H21ClN4O4/c1-14-10-15(23(27)31)4-6-18(14)20-13-28-30-9-8-16(11-22(20)30)24(32)29(2)17-5-7-21(26)19(12-17)25(33)34-3/h4-13H,1-3H3,(H2,27,31)
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WIPO WO2022079616
n/an/a>1.00E+3n/an/an/an/an/an/a



NOVARTIS AG

WIPO




WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533856
PNG
(Methyl 5-(3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyri...)
Show SMILES COC(=O)c1cc(NC(=O)c2ccn3ncc(-c4ccc(cc4)C(N)=O)c3c2)ccc1Cl
Show InChI InChI=1S/C23H17ClN4O4/c1-32-23(31)17-11-16(6-7-19(17)24)27-22(30)15-8-9-28-20(10-15)18(12-26-28)13-2-4-14(5-3-13)21(25)29/h2-12H,1H3,(H2,25,29)(H,27,30)
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WIPO WO2022079616
n/an/a>1.00E+3n/an/an/an/an/an/a



NOVARTIS AG

WIPO




WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533862
PNG
(Methyl 5-(3-(4-carbamoylphenyl)-N-methylpyrazolo[1...)
Show SMILES COC(=O)c1cc(ccc1C#N)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C25H19N5O4/c1-29(19-8-7-18(13-26)20(12-19)25(33)34-2)24(32)17-9-10-30-22(11-17)21(14-28-30)15-3-5-16(6-4-15)23(27)31/h3-12,14H,1-2H3,(H2,27,31)
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WIPO WO2022079616
n/an/a>1.00E+3n/an/an/an/an/an/a



NOVARTIS AG

WIPO




WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase


()
BDBM533856
PNG
(Methyl 5-(3-(4-carbamoylphenyl)pyrazolo[1,5-a]pyri...)
Show SMILES COC(=O)c1cc(NC(=O)c2ccn3ncc(-c4ccc(cc4)C(N)=O)c3c2)ccc1Cl
Show InChI InChI=1S/C23H17ClN4O4/c1-32-23(31)17-11-16(6-7-19(17)24)27-22(30)15-8-9-28-20(10-15)18(12-26-28)13-2-4-14(5-3-13)21(25)29/h2-12H,1H3,(H2,25,29)(H,27,30)
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WIPO WO2022079616
n/an/a>1.00E+3n/an/an/an/an/an/a



NOVARTIS AG

WIPO


Assay Description
Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, ...


WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533863
PNG
(WO2022079616, Example 2.1)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnc2cnc(cn12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OC
Show InChI InChI=1S/C24H20ClN5O4/c1-26-22(31)15-6-4-14(5-7-15)20-11-28-21-12-27-19(13-30(20)21)23(32)29(2)16-8-9-18(25)17(10-16)24(33)34-3/h4-13H,1-3H3,(H,26,31)
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WIPO WO2022079616
n/an/a>1.00E+3n/an/an/an/an/an/a



NOVARTIS AG

WIPO




WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533783
PNG
(WO2022079616, Example 1.14 | rac-1-((Ethoxycarbony...)
Show SMILES CCOC(=O)OC(C)OC(=O)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C28H25ClN4O7/c1-4-38-28(37)40-16(2)39-27(36)21-14-20(9-10-23(21)29)32(3)26(35)19-11-12-33-24(13-19)22(15-31-33)17-5-7-18(8-6-17)25(30)34/h5-16H,4H2,1-3H3,(H2,30,34)
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WIPO WO2022079616
n/an/a>1.00E+3n/an/an/an/an/an/a



NOVARTIS AG

WIPO




WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533864
PNG
(Methyl 2-chloro-5-(N-methyl-3-(4-(methylcarbamoyl)...)
Show SMILES CNC(=O)c1ccc(cc1)-c1cnn2cnc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OC
Show InChI InChI=1S/C24H20ClN5O4/c1-26-22(31)15-6-4-14(5-7-15)18-12-28-30-13-27-20(11-21(18)30)23(32)29(2)16-8-9-19(25)17(10-16)24(33)34-3/h4-13H,1-3H3,(H,26,31)
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WIPO WO2022079616
n/an/a>1.00E+3n/an/an/an/an/an/a



NOVARTIS AG

WIPO




WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533860
PNG
(Methyl 5-(3-(4-carbamoylphenyl)-N-methylpyrazolo[1...)
Show SMILES COC(=O)c1cc(ccc1OC(F)(F)F)N(C)C(=O)c1ccn2ncc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C25H19F3N4O5/c1-31(17-7-8-21(37-25(26,27)28)18(12-17)24(35)36-2)23(34)16-9-10-32-20(11-16)19(13-30-32)14-3-5-15(6-4-14)22(29)33/h3-13H,1-2H3,(H2,29,33)
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WIPO WO2022079616
n/an/a>1.00E+3n/an/an/an/an/an/a



NOVARTIS AG

WIPO




WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
PI3K/PI4K catalytic domain-containing protein


()
BDBM533837
PNG
(Methyl 2-chloro-5-(N-methyl-3-(3-methyl-4-(carbamo...)
Show SMILES CNC(=O)c1ccc(cc1C)-c1cnn2ccc(cc12)C(=O)N(C)c1ccc(Cl)c(c1)C(=O)OC
Show InChI InChI=1S/C26H23ClN4O4/c1-15-11-16(5-7-19(15)24(32)28-2)21-14-29-31-10-9-17(12-23(21)31)25(33)30(3)18-6-8-22(27)20(13-18)26(34)35-4/h5-14H,1-4H3,(H,28,32)
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WIPO WO2022079616
n/an/a>1.00E+3n/an/an/an/an/an/a



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WIPO WO2022079616 (2022)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%