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Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'bhamra' and Initial = 'i'   
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
Protein Wnt-3a


(Mus musculus)
BDBM346247
PNG
(2-[2-methyl-4-(2-methyl-4-pyridyl)pyrrolo[2,3-d]py...)
Show SMILES Cc1cc(ccn1)-c1nc(C)nc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
PDB

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Redx Pharma PLC

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346240
PNG
(2-[5-(2-methyl-4-pyridyl)pyrazolo[3,4-b]pyridin-1-...)
Show SMILES Cc1cc(ccn1)-c1ncnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346260
PNG
(2-[4-(2-methyl-4-pyridyl)pyrrolo[3,2-c]pyridin-1-y...)
Show SMILES Cc1cc(ccn1)-c1nccc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346238
PNG
(2-[5-methyl-4-(2-methyl-4-pyridyl)pyrrolo[2,3-b]py...)
Show SMILES Cc1cc(ccn1)-c1ccnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346268
PNG
(2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1...)
Show SMILES Cn1nccc1-c1ccnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155389
PNG
(US9006282, Example 3, Compound 8)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@H](CC(OCC=C)O1)OCc1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1/C43H45FN2O4/c1-4-26-48-38-28-37(49-29-31-14-8-5-9-15-31)27-36(50-38)24-25-46-41(30(2)3)40(43(47)45-35-18-12-7-13-19-35)39(32-16-10-6-11-17-32)42(46)33-20-22-34(44)23-21-33/h4-23,30,36-38H,1,24-29H2,2-3H3,(H,45,47)/t36-,37-,38?/s2
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Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155390
PNG
(US9006282, Example 3, Compound 9)
Show SMILES COc1ccc(OC2C[C@H](O)C[C@@H](CCn3c(C(C)C)c(C(=O)Nc4ccccc4)c(c3-c3ccc(F)cc3)-c3ccccc3)O2)c(OC)c1 |r|
Show InChI InChI=1/C41H43FN2O6/c1-26(2)39-38(41(46)43-30-13-9-6-10-14-30)37(27-11-7-5-8-12-27)40(28-15-17-29(42)18-16-28)44(39)22-21-33-23-31(45)24-36(49-33)50-34-20-19-32(47-3)25-35(34)48-4/h5-20,25-26,31,33,36,45H,21-24H2,1-4H3,(H,43,46)/t31-,33-,36?/s2
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Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346238
PNG
(2-[5-methyl-4-(2-methyl-4-pyridyl)pyrrolo[2,3-b]py...)
Show SMILES Cc1cc(ccn1)-c1ccnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346239
PNG
(2-[5-fluoro-4-(2-methyl-4-pyridyl)pyrrolo[2,3-b]py...)
Show SMILES Cc1cc(ccn1)-c1c(F)cnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346240
PNG
(2-[5-(2-methyl-4-pyridyl)pyrazolo[3,4-b]pyridin-1-...)
Show SMILES Cc1cc(ccn1)-c1ncnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346242
PNG
(2-[5-(2-methyl-4-pyridyl)pyrrolo[2,3-b]pyridin-1-y...)
Show SMILES Cc1cc(ccn1)-c1ccnc2n(CC(=O)Nc3ccc(nc3)-c3cnccn3)ccc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346245
PNG
(2-[2-amino-4-(2-methyl-4-pyridyl)pyrrolo[2,3-d]pyr...)
Show SMILES Cc1cc(ccn1)-c1nc(N)nc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346239
PNG
(2-[5-fluoro-4-(2-methyl-4-pyridyl)pyrrolo[2,3-b]py...)
Show SMILES Cc1cc(ccn1)-c1c(F)cnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346247
PNG
(2-[2-methyl-4-(2-methyl-4-pyridyl)pyrrolo[2,3-d]py...)
Show SMILES Cc1cc(ccn1)-c1nc(C)nc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346248
PNG
(2-[4-(2-methylpyrazol-3-yl)pyrazolo[3,4-d]pyrimidi...)
Show SMILES O=C(Cn1ccc2c(ncnc12)N1CCCCC1)Nc1ccc(cn1)-c1cnccn1
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346249
PNG
(2-[2-chloro-4-(2-methyl-4-pyridyl)pyrrolo[2,3-d]py...)
Show SMILES Cc1cc(ccn1)-c1nc(Cl)nc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346258
PNG
(N-(5-pyrazin-2-yl-2-pyridyl)-2-[4-[2-(trifluoromet...)
Show SMILES FC(F)(F)c1cc(ccn1)-c1ncnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346244
PNG
(2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-1...)
Show SMILES Cc1cc(ccn1)-c1ncnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ncc12
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346260
PNG
(2-[4-(2-methyl-4-pyridyl)pyrrolo[3,2-c]pyridin-1-y...)
Show SMILES Cc1cc(ccn1)-c1nccc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346261
PNG
(2-[4-(2-methyl-4-pyridyl)pyrrolo[2,3-c]pyridin-1-y...)
Show SMILES Cc1cc(ccn1)-c1cncc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346262
PNG
(2-[4-(2-methyl-4-pyridyl)pyrazolo[3,4-b]pyridin-1-...)
Show SMILES Cc1cc(ccn1)-c1ccnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ncc12
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346240
PNG
(2-[5-(2-methyl-4-pyridyl)pyrazolo[3,4-b]pyridin-1-...)
Show SMILES Cc1cc(ccn1)-c1ncnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346238
PNG
(2-[5-methyl-4-(2-methyl-4-pyridyl)pyrrolo[2,3-b]py...)
Show SMILES Cc1cc(ccn1)-c1ccnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346268
PNG
(2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1...)
Show SMILES Cn1nccc1-c1ccnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155386
PNG
(US9006282, Example 3, Compound 5)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(OC2CCCCC2)O1)-c1ccccc1 |r|
Show InChI InChI=1/C39H45FN2O4/c1-26(2)37-36(39(44)41-30-14-8-4-9-15-30)35(27-12-6-3-7-13-27)38(28-18-20-29(40)21-19-28)42(37)23-22-33-24-31(43)25-34(46-33)45-32-16-10-5-11-17-32/h3-4,6-9,12-15,18-21,26,31-34,43H,5,10-11,16-17,22-25H2,1-2H3,(H,41,44)/t31-,33-,34?/s2
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Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155385
PNG
(US9006282, Example 3, Compound 4)
Show SMILES CCCOC1C[C@H](O)C[C@@H](CCn2c(C(C)C)c(C(=O)Nc3ccccc3)c(c2-c2ccc(F)cc2)-c2ccccc2)O1 |r|
Show InChI InChI=1/C36H41FN2O4/c1-4-21-42-31-23-29(40)22-30(43-31)19-20-39-34(24(2)3)33(36(41)38-28-13-9-6-10-14-28)32(25-11-7-5-8-12-25)35(39)26-15-17-27(37)18-16-26/h5-18,24,29-31,40H,4,19-23H2,1-3H3,(H,38,41)/t29-,30-,31?/s2
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Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155384
PNG
(US9006282, Example 3, Compound 3)
Show SMILES COC1C[C@@H](C[C@@H](CCn2c(C(C)C)c(C(=O)Nc3ccccc3)c(c2-c2ccc(F)cc2)-c2ccccc2)O1)OC(=O)c1cccnc1 |r|
Show InChI InChI=1/C40H40FN3O5/c1-26(2)37-36(39(45)43-31-14-8-5-9-15-31)35(27-11-6-4-7-12-27)38(28-16-18-30(41)19-17-28)44(37)22-20-32-23-33(24-34(47-3)48-32)49-40(46)29-13-10-21-42-25-29/h4-19,21,25-26,32-34H,20,22-24H2,1-3H3,(H,43,45)/t32-,33-,34?/s2
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Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155380
PNG
(US9006282, Example 2, Compound 8 | US9102656, Exam...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(Oc2c(F)cc(F)cc2F)O1)N(C)S(C)(=O)=O |r|
Show InChI InChI=1/C28H29F4N3O5S/c1-15(2)25-21(26(16-5-7-17(29)8-6-16)34-28(33-25)35(3)41(4,37)38)10-9-20-13-19(36)14-24(39-20)40-27-22(31)11-18(30)12-23(27)32/h5-12,15,19-20,24,36H,13-14H2,1-4H3/b10-9+/t19-,20-,24?/s2
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Redx Pharma Limited

US Patent


Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155374
PNG
(US9006282, Example 2, Compound 2 | US9102656, Exam...)
Show SMILES COC1C[C@@H](C[C@H](O1)\C=C\c1c(nc(nc1-c1ccc(F)cc1)N(C)S(C)(=O)=O)C(C)C)OC(=O)c1cccnc1 |r|
Show InChI InChI=1/C29H33FN4O6S/c1-18(2)26-24(27(19-8-10-21(30)11-9-19)33-29(32-26)34(3)41(5,36)37)13-12-22-15-23(16-25(38-4)39-22)40-28(35)20-7-6-14-31-17-20/h6-14,17-18,22-23,25H,15-16H2,1-5H3/b13-12+/t22-,23-,25?/s2
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Redx Pharma Limited

US Patent


Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155376
PNG
(US9006282, Example 2, Compound 4 | US9102656, Exam...)
Show SMILES CC(C)OC1C[C@@H](C[C@H](O1)\C=C\c1c(nc(nc1-c1ccc(F)cc1)N(C)S(C)(=O)=O)C(C)C)OCc1ccccc1 |r|
Show InChI InChI=1/C32H40FN3O5S/c1-21(2)30-28(31(24-12-14-25(33)15-13-24)35-32(34-30)36(5)42(6,37)38)17-16-26-18-27(19-29(41-26)40-22(3)4)39-20-23-10-8-7-9-11-23/h7-17,21-22,26-27,29H,18-20H2,1-6H3/b17-16+/t26-,27-,29?/s2
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Redx Pharma Limited

US Patent


Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155379
PNG
(US9006282, Example 2, Compound 7 | US9102656, Exam...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@H](CC(OCC(Cl)(Cl)Cl)O1)OCc1ccccc1)N(C)S(C)(=O)=O |r|
Show InChI InChI=1/C31H35Cl3FN3O5S/c1-20(2)28-26(29(22-10-12-23(35)13-11-22)37-30(36-28)38(3)44(4,39)40)15-14-24-16-25(41-18-21-8-6-5-7-9-21)17-27(43-24)42-19-31(32,33)34/h5-15,20,24-25,27H,16-19H2,1-4H3/b15-14+/t24-,25-,27?/s2
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Redx Pharma Limited

US Patent


Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155381
PNG
(US9006282, Example 2, Compound 9 | US9102656, Exam...)
Show SMILES COc1ccc(OC2C[C@H](O)C[C@H](O2)\C=C\c2c(nc(nc2-c2ccc(F)cc2)N(C)S(C)(=O)=O)C(C)C)c(OC)c1 |r|
Show InChI InChI=1/C30H36FN3O7S/c1-18(2)28-24(29(19-7-9-20(31)10-8-19)33-30(32-28)34(3)42(6,36)37)13-11-23-15-21(35)16-27(40-23)41-25-14-12-22(38-4)17-26(25)39-5/h7-14,17-18,21,23,27,35H,15-16H2,1-6H3/b13-11+/t21-,23-,27?/s2
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Redx Pharma Limited

US Patent


Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155382
PNG
(US9006282, Example 2, Compound 10 | US9102656, Exa...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(OCC(Cl)(Cl)Cl)O1)N(C)S(C)(=O)=O |r|
Show InChI InChI=1/C24H29Cl3FN3O5S/c1-14(2)21-19(10-9-18-11-17(32)12-20(36-18)35-13-24(25,26)27)22(15-5-7-16(28)8-6-15)30-23(29-21)31(3)37(4,33)34/h5-10,14,17-18,20,32H,11-13H2,1-4H3/b10-9+/t17-,18-,20?/s2
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US Patent


Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155388
PNG
(US9006282, Example 3, Compound 7)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@H](CC(OC(C)(C)C)O1)OCc1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1/C44H49FN2O4/c1-30(2)41-40(43(48)46-35-19-13-8-14-20-35)39(32-17-11-7-12-18-32)42(33-21-23-34(45)24-22-33)47(41)26-25-36-27-37(28-38(50-36)51-44(3,4)5)49-29-31-15-9-6-10-16-31/h6-24,30,36-38H,25-29H2,1-5H3,(H,46,48)/t36-,37-,38?/s2
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Redx Pharma Limited

US Patent


Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011032
PNG
(5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1
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US Patent


Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346257
PNG
(2-[4-(2-methyl-4-pyridyl)imidazo[4,5-c]pyridin-1-y...)
Show SMILES Cc1cc(ccn1)-c1nccc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)cnc12
PDB

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US Patent




US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346267
PNG
(2-[4-(1-piperidyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5...)
Show SMILES O=C(Cn1ccc2c(ccnc12)N1CCCCC1)Nc1ccc(cn1)-c1cnccn1
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US Patent




US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346255
PNG
(2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin...)
Show SMILES Cn1nccc1-c1ncnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346244
PNG
(2-[4-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-1...)
Show SMILES Cc1cc(ccn1)-c1ncnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ncc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155378
PNG
(US9006282, Example 2, Compound 6 | US9102656, Exam...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@H](CC(OCC=C)O1)OCc1ccccc1)N(C)S(C)(=O)=O |r|
Show InChI InChI=1/C32H38FN3O5S/c1-6-18-39-29-20-27(40-21-23-10-8-7-9-11-23)19-26(41-29)16-17-28-30(22(2)3)34-32(36(4)42(5,37)38)35-31(28)24-12-14-25(33)15-13-24/h6-17,22,26-27,29H,1,18-21H2,2-5H3/b17-16+/t26-,27-,29?/s2
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Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346252
PNG
(2-[4-(2-methyl-4-pyridyl)pyrazolo[3,4-b]pyridin-1-...)
Show SMILES Cc1cc(ccn1)-c1ccnc2n(CC(=O)Nc3ccc(nc3)-c3cnccn3)ncc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346241
PNG
(2-[4-(2-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-1...)
Show SMILES Cn1nccc1-c1nccc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346251
PNG
(2-[4-(2-methyl-4-pyridyl)pyrazolo[3,4-d]pyrimidin-...)
Show SMILES Cc1cc(ccn1)-c1ncnc2n(CC(=O)Nc3ccc(nc3)-c3cnccn3)ncc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346242
PNG
(2-[5-(2-methyl-4-pyridyl)pyrrolo[2,3-b]pyridin-1-y...)
Show SMILES Cc1cc(ccn1)-c1ccnc2n(CC(=O)Nc3ccc(nc3)-c3cnccn3)ccc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155387
PNG
(US9006282, Example 3, Compound 6)
Show SMILES CC(C)OC1C[C@@H](C[C@@H](CCn2c(C(C)C)c(C(=O)Nc3ccccc3)c(c2-c2ccc(F)cc2)-c2ccccc2)O1)OCc1ccccc1 |r|
Show InChI InChI=1/C43H47FN2O4/c1-29(2)41-40(43(47)45-35-18-12-7-13-19-35)39(32-16-10-6-11-17-32)42(33-20-22-34(44)23-21-33)46(41)25-24-36-26-37(27-38(50-36)49-30(3)4)48-28-31-14-8-5-9-15-31/h5-23,29-30,36-38H,24-28H2,1-4H3,(H,45,47)/t36-,37-,38?/s2
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Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM155377
PNG
(US9006282, Example 2, Compound 5 | US9102656, Exam...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@H](CC(OC(C)(C)C)O1)OCc1ccccc1)N(C)S(C)(=O)=O |r|
Show InChI InChI=1/C33H42FN3O5S/c1-22(2)30-28(31(24-13-15-25(34)16-14-24)36-32(35-30)37(6)43(7,38)39)18-17-26-19-27(20-29(41-26)42-33(3,4)5)40-21-23-11-9-8-10-12-23/h8-18,22,26-27,29H,19-21H2,1-7H3/b18-17+/t26-,27-,29?/s2
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Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50371228
PNG
(Crestor | ROSUVASTATIN CALCIUM | Rosuvastatin | US...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/p-1/b10-9+/t16-,17-/m1/s1
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Assay Description
All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADP...


US Patent US9006282 (2015)


BindingDB Entry DOI: 10.7270/Q28K77T8
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346265
PNG
(2-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin...)
Show SMILES CN1CCN(CC1)c1ccnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ccc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346256
PNG
(2-[6-(2-methyl-4-pyridyl)purin-9-yl]-N-(5-pyrazin-...)
Show SMILES Cc1cc(ccn1)-c1ncnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)cnc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM346243
PNG
(2-[4-(2-methylpyrazol-3-yl)pyrazolo[3,4-b]pyridin-...)
Show SMILES Cn1nccc1-c1ccnc2n(CC(=O)Nc3ccc(cn3)-c3cnccn3)ncc12
PDB

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US Patent US10202375 (2019)


BindingDB Entry DOI: 10.7270/Q29W0HMN
More data for this
Ligand-Target Pair
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