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Patent code US10202360

Compile Data Set for Download or QSAR

Found 382 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CREB-binding protein


(Homo sapiens (Human))
BDBM345560
PNG
(N-(2-(2,6-dimethylphenoxy)-6-(5- methoxy-1-methyl-...)
Show SMILES COc1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C(C)C)nc(Oc2c(C)cccc2C)n1
Show InChI InChI=1S/C22H26N4O5S/c1-13(2)32(28,29)25-19-11-17(16-10-18(30-6)21(27)26(5)12-16)23-22(24-19)31-20-14(3)8-7-9-15(20)4/h7-13H,1-6H3,(H,23,24,25)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345569
PNG
(Butane-1-sulfonic acid [6-(5-chloro- 1-methyl-6-ox...)
Show SMILES CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2C#N)n1)-c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1S/C22H22ClN5O4S/c1-4-5-9-33(30,31)27-19-11-18(16-10-17(23)21(29)28(3)13-16)25-22(26-19)32-20-14(2)7-6-8-15(20)12-24/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,25,26,27)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345570
PNG
(3-Fluoro-propane-1-sulfonic acid [2- (2-cyano-6-me...)
Show SMILES Cc1cccc(C#N)c1Oc1nc(NS(=O)(=O)CCCF)cc(n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H22FN5O4S/c1-14-6-4-7-16(12-24)20(14)32-22-25-18(17-10-15(2)21(29)28(3)13-17)11-19(26-22)27-33(30,31)9-5-8-23/h4,6-7,10-11,13H,5,8-9H2,1-3H3,(H,25,26,27)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345575
PNG
(Propane-1-sulfonic acid [2-(2- fluoro-6-methyl-phe...)
Show SMILES CCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2F)n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H21FN4O4S/c1-4-10-30(27,28)24-17-11-16(14-8-9-18(26)25(3)12-14)22-20(23-17)29-19-13(2)6-5-7-15(19)21/h5-9,11-12H,4,10H2,1-3H3,(H,22,23,24)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345577
PNG
(Butane-1-sulfonic acid [6-(5-chloro- 1-methyl-6-ox...)
Show SMILES CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2F)n1)-c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1S/C21H22ClFN4O4S/c1-4-5-9-32(29,30)26-18-11-17(14-10-15(22)20(28)27(3)12-14)24-21(25-18)31-19-13(2)7-6-8-16(19)23/h6-8,10-12H,4-5,9H2,1-3H3,(H,24,25,26)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345579
PNG
(Butane-1-sulfonic acid [6-(1-methyl- 6-oxo-1,6-dih...)
Show SMILES CCCCS(=O)(=O)Nc1cc(nc(Oc2c(C)nn(C)c2C)n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H26N6O4S/c1-6-7-10-31(28,29)24-17-11-16(15-8-9-18(27)25(4)12-15)21-20(22-17)30-19-13(2)23-26(5)14(19)3/h8-9,11-12H,6-7,10H2,1-5H3,(H,21,22,24)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345580
PNG
(Propane-2-sulfonic acid [6-(1- methyl-6-oxo-1,6-di...)
Show SMILES CC(C)S(=O)(=O)Nc1cc(nc(Oc2c(C)nn(C)c2C)n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C19H24N6O4S/c1-11(2)30(27,28)23-16-9-15(14-7-8-17(26)24(5)10-14)20-19(21-16)29-18-12(3)22-25(6)13(18)4/h7-11H,1-6H3,(H,20,21,23)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345593
PNG
(Butane-1-sulfonic acid [2-(2-chloro- 6-fluoro-phen...)
Show SMILES CCCCS(=O)(=O)Nc1cc(nc(Oc2c(F)cccc2Cl)n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H22ClFN4O4S/c1-4-5-9-32(29,30)26-18-11-17(14-10-13(2)20(28)27(3)12-14)24-21(25-18)31-19-15(22)7-6-8-16(19)23/h6-8,10-12H,4-5,9H2,1-3H3,(H,24,25,26)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345599
PNG
(Propane-2-sulfonic acid [2-(2- chloro-6-fluoro-phe...)
Show SMILES CC(C)S(=O)(=O)Nc1cc(nc(Oc2c(F)cccc2Cl)n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C19H18ClFN4O4S/c1-11(2)30(27,28)24-16-9-15(12-7-8-17(26)25(3)10-12)22-19(23-16)29-18-13(20)5-4-6-14(18)21/h4-11H,1-3H3,(H,22,23,24)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345600
PNG
(3,3,3-Trifluoro-propane-1-sulfonic acid [2-(2-fluo...)
Show SMILES Cc1cccc(F)c1Oc1nc(NS(=O)(=O)CCC(F)(F)F)cc(n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H18F4N4O4S/c1-12-4-3-5-14(21)18(12)32-19-25-15(13-6-7-17(29)28(2)11-13)10-16(26-19)27-33(30,31)9-8-20(22,23)24/h3-7,10-11H,8-9H2,1-2H3,(H,25,26,27)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345601
PNG
(4,4,4-Trifluoro-butane-1-sulfonic acid [2-(2-fluor...)
Show SMILES Cc1cccc(F)c1Oc1nc(NS(=O)(=O)CCCC(F)(F)F)cc(n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C21H20F4N4O4S/c1-13-5-3-6-15(22)19(13)33-20-26-16(14-7-8-18(30)29(2)12-14)11-17(27-20)28-34(31,32)10-4-9-21(23,24)25/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,26,27,28)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345604
PNG
(N-(2-(2-cyano-6-methylphenoxy)-6- (1-methyl-6-oxo-...)
Show SMILES Cc1cccc(C#N)c1Oc1nc(NS(=O)(=O)CCC(F)(F)F)cc(n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C21H18F3N5O4S/c1-13-4-3-5-14(11-25)19(13)33-20-26-16(15-6-7-18(30)29(2)12-15)10-17(27-20)28-34(31,32)9-8-21(22,23)24/h3-7,10,12H,8-9H2,1-2H3,(H,26,27,28)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345607
PNG
(N-(6-(1,5-dimethyl-6-oxo-1,6- dihydropyridin-3-yl)...)
Show SMILES CC(C)COc1nc(NS(=O)(=O)C(C)C)cc(n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C18H26N4O4S/c1-11(2)10-26-18-19-15(14-7-13(5)17(23)22(6)9-14)8-16(20-18)21-27(24,25)12(3)4/h7-9,11-12H,10H2,1-6H3,(H,19,20,21)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345611
PNG
(N-(6-(1,5-dimethyl-6-oxo-1,6- dihydropyridin-3-yl)...)
Show SMILES CCCS(=O)(=O)Nc1cc(nc(n1)-c1ccccc1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H22N4O3S/c1-4-10-28(26,27)23-18-12-17(16-11-14(2)20(25)24(3)13-16)21-19(22-18)15-8-6-5-7-9-15/h5-9,11-13H,4,10H2,1-3H3,(H,21,22,23)
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n/an/a 2.75E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345616
PNG
(Propane-1-sulfonic acid [6-(1,5- dimethyl-6-oxo-1,...)
Show SMILES CCCS(=O)(=O)Nc1nc(Oc2c(C)cccc2F)nc(c1C)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H25FN4O4S/c1-6-10-32(29,30)26-20-15(4)18(16-11-14(3)21(28)27(5)12-16)24-22(25-20)31-19-13(2)8-7-9-17(19)23/h7-9,11-12H,6,10H2,1-5H3,(H,24,25,26)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345620
PNG
(Propane-2-sulfonic acid [2-(2,4- difluoro-phenoxy)...)
Show SMILES CC(C)S(=O)(=O)Nc1nc(Oc2ccc(F)cc2F)nc(c1C)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H22F2N4O4S/c1-11(2)32(29,30)26-19-13(4)18(14-8-12(3)20(28)27(5)10-14)24-21(25-19)31-17-7-6-15(22)9-16(17)23/h6-11H,1-5H3,(H,24,25,26)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345637
PNG
(Butane-1-sulfonic acid [4-(2-chloro- 6-fluoro-phen...)
Show SMILES CCCCS(=O)(=O)Nc1nc(Oc2c(F)cccc2Cl)nc(n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C19H19ClFN5O4S/c1-3-4-10-31(28,29)25-18-22-17(12-8-9-15(27)26(2)11-12)23-19(24-18)30-16-13(20)6-5-7-14(16)21/h5-9,11H,3-4,10H2,1-2H3,(H,22,23,24,25)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345644
PNG
(Butane-1-sulfonic acid [4-(2,6- difluoro-phenoxy)-...)
Show SMILES CCCCS(=O)(=O)Nc1nc(Oc2c(F)cccc2F)nc(n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H21F2N5O4S/c1-4-5-9-32(29,30)26-19-23-17(13-10-12(2)18(28)27(3)11-13)24-20(25-19)31-16-14(21)7-6-8-15(16)22/h6-8,10-11H,4-5,9H2,1-3H3,(H,23,24,25,26)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345656
PNG
(Propane-1-sulfonic acid [4- isopropoxy-6-(1-methyl...)
Show SMILES CCCS(=O)(=O)Nc1nc(OC(C)C)nc(n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C15H21N5O4S/c1-5-8-25(22,23)19-14-16-13(17-15(18-14)24-10(2)3)11-6-7-12(21)20(4)9-11/h6-7,9-10H,5,8H2,1-4H3,(H,16,17,18,19)
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n/an/a 2.75E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345677
PNG
((S)-N-(2-(2-chloro-6- methylphenoxy)-6-(1,5-dimeth...)
Show SMILES CC[C@H](C)S(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2Cl)n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H25ClN4O4S/c1-6-15(4)32(29,30)26-19-11-18(16-10-14(3)21(28)27(5)12-16)24-22(25-19)31-20-13(2)8-7-9-17(20)23/h7-12,15H,6H2,1-5H3,(H,24,25,26)/t15-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345456
PNG
(Propane-2-sulfonic acid [2-(2,5-dichloro-phenoxy)-...)
Show SMILES CC(C)S(=O)(=O)Nc1cc(nc(Oc2cc(Cl)ccc2Cl)n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H20Cl2N4O4S/c1-11(2)31(28,29)25-18-9-16(13-7-12(3)19(27)26(4)10-13)23-20(24-18)30-17-8-14(21)5-6-15(17)22/h5-11H,1-4H3,(H,23,24,25)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345460
PNG
(Propane-2-sulfonic acid [2-(2-chloro-5-methyl-phen...)
Show SMILES CC(C)S(=O)(=O)Nc1cc(nc(Oc2cc(C)ccc2Cl)n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H23ClN4O4S/c1-12(2)31(28,29)25-19-10-17(15-9-14(4)20(27)26(5)11-15)23-21(24-19)30-18-8-13(3)6-7-16(18)22/h6-12H,1-5H3,(H,23,24,25)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345462
PNG
(Propane-2-sulfonic acid [2-(5- cyano-2-methyl-phen...)
Show SMILES CC(C)S(=O)(=O)Nc1cc(nc(Oc2cc(ccc2C)C#N)n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23N5O4S/c1-13(2)32(29,30)26-20-10-18(17-8-15(4)21(28)27(5)12-17)24-22(25-20)31-19-9-16(11-23)7-6-14(19)3/h6-10,12-13H,1-5H3,(H,24,25,26)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345470
PNG
(Butane-1-sulfonic acid [2-(2-chloro- 5-methyl-phen...)
Show SMILES CCCCS(=O)(=O)Nc1cc(nc(Oc2cc(C)ccc2Cl)n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H25ClN4O4S/c1-5-6-9-32(29,30)26-20-12-18(16-11-15(3)21(28)27(4)13-16)24-22(25-20)31-19-10-14(2)7-8-17(19)23/h7-8,10-13H,5-6,9H2,1-4H3,(H,24,25,26)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345479
PNG
(Propane-2-sulfonic acid [2-(2- cyano-6-methyl-phen...)
Show SMILES CC(C)S(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2C#N)n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23N5O4S/c1-13(2)32(29,30)26-19-10-18(17-9-15(4)21(28)27(5)12-17)24-22(25-19)31-20-14(3)7-6-8-16(20)11-23/h6-10,12-13H,1-5H3,(H,24,25,26)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345486
PNG
(Propane-1-sulfonic acid [2-(2,4- dichloro-6-methyl...)
Show SMILES CCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cc(Cl)cc2Cl)n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H20Cl2N4O4S/c1-4-7-31(28,29)25-17-10-16(13-5-6-18(27)26(3)11-13)23-20(24-17)30-19-12(2)8-14(21)9-15(19)22/h5-6,8-11H,4,7H2,1-3H3,(H,23,24,25)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345739
PNG
(5-(2-(2-chloro-6-methylphenoxy)-6- (cyclopentylami...)
Show SMILES Cc1cccc(Cl)c1Oc1nc(NC2CCCC2)cc(n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C22H23ClN4O2/c1-14-6-5-9-17(23)21(14)29-22-25-18(15-10-11-20(28)27(2)13-15)12-19(26-22)24-16-7-3-4-8-16/h5-6,9-13,16H,3-4,7-8H2,1-2H3,(H,24,25,26)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345740
PNG
(5-(6-(cyclopentylamino)-2-(2- fluoro-6-methylpheno...)
Show SMILES Cc1cccc(F)c1Oc1nc(NC2CCCC2)cc(n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C22H23FN4O2/c1-14-6-5-9-17(23)21(14)29-22-25-18(15-10-11-20(28)27(2)13-15)12-19(26-22)24-16-7-3-4-8-16/h5-6,9-13,16H,3-4,7-8H2,1-2H3,(H,24,25,26)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345497
PNG
(Propane-1-sulfonic acid [2-(2- chloro-6-ethyl-phen...)
Show SMILES CCCS(=O)(=O)Nc1cc(nc(Oc2c(Cl)cccc2CC)n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H25ClN4O4S/c1-5-10-32(29,30)26-19-12-18(16-11-14(3)21(28)27(4)13-16)24-22(25-19)31-20-15(6-2)8-7-9-17(20)23/h7-9,11-13H,5-6,10H2,1-4H3,(H,24,25,26)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345501
PNG
(Propane-2-sulfonic acid [6-(1-butyl- 5-methyl-6-ox...)
Show SMILES CCCCn1cc(cc(C)c1=O)-c1cc(NS(=O)(=O)C(C)C)nc(Oc2ccc(F)cc2F)n1
Show InChI InChI=1S/C23H26F2N4O4S/c1-5-6-9-29-13-16(10-15(4)22(29)30)19-12-21(28-34(31,32)14(2)3)27-23(26-19)33-20-8-7-17(24)11-18(20)25/h7-8,10-14H,5-6,9H2,1-4H3,(H,26,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345504
PNG
(Propane-2-sulfonic acid [6-(1- cyclopropylmethyl-5...)
Show SMILES CC(C)S(=O)(=O)Nc1cc(nc(Oc2ccc(F)cc2F)n1)-c1cc(C)c(=O)n(CC2CC2)c1
Show InChI InChI=1S/C23H24F2N4O4S/c1-13(2)34(31,32)28-21-10-19(16-8-14(3)22(30)29(12-16)11-15-4-5-15)26-23(27-21)33-20-7-6-17(24)9-18(20)25/h6-10,12-13,15H,4-5,11H2,1-3H3,(H,26,27,28)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345508
PNG
(Propane-2-sulfonic acid {2-(2,4- difluoro-phenoxy)...)
Show SMILES COCCn1cc(cc(C)c1=O)-c1cc(NS(=O)(=O)C(C)C)nc(Oc2ccc(F)cc2F)n1
Show InChI InChI=1S/C22H24F2N4O5S/c1-13(2)34(30,31)27-20-11-18(15-9-14(3)21(29)28(12-15)7-8-32-4)25-22(26-20)33-19-6-5-16(23)10-17(19)24/h5-6,9-13H,7-8H2,1-4H3,(H,25,26,27)
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n/an/a 2.75E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345509
PNG
(Propane-1-sulfonic acid [6-(1- cyclopropyl-5-methy...)
Show SMILES CCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cccc2C)n1)-c1cc(C)c(=O)n(c1)C1CC1
Show InChI InChI=1S/C24H28N4O4S/c1-5-11-33(30,31)27-21-13-20(18-12-17(4)23(29)28(14-18)19-9-10-19)25-24(26-21)32-22-15(2)7-6-8-16(22)3/h6-8,12-14,19H,5,9-11H2,1-4H3,(H,25,26,27)
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n/an/a 2.75E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345513
PNG
(N-(6-(1,5-dimethyl-6-oxo-1,6- dihydropyridin-3-yl)...)
Show SMILES CC(C)S(=O)(=O)Nc1cc(nc(Oc2cccc3oc(C)cc23)n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H24N4O5S/c1-13(2)33(29,30)26-21-11-18(16-9-14(3)22(28)27(5)12-16)24-23(25-21)32-20-8-6-7-19-17(20)10-15(4)31-19/h6-13H,1-5H3,(H,24,25,26)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345515
PNG
(Propane-1-sulfonic acid [6-(2,4- dichloro-6-methyl...)
Show SMILES CCCS(=O)(=O)Nc1cc(Oc2c(C)cc(Cl)cc2Cl)nc(n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H22Cl2N4O4S/c1-5-6-32(29,30)26-17-10-18(31-19-12(2)8-15(22)9-16(19)23)25-20(24-17)14-7-13(3)21(28)27(4)11-14/h7-11H,5-6H2,1-4H3,(H,24,25,26)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345516
PNG
(N-(2-(2,4-difluorophenoxy)-6-(1,5- dimethyl-6-oxo-...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(C)(=O)=O)nc(Oc2ccc(F)cc2F)n1
Show InChI InChI=1S/C18H16F2N4O4S/c1-10-6-11(9-24(2)17(10)25)14-8-16(23-29(3,26)27)22-18(21-14)28-15-5-4-12(19)7-13(15)20/h4-9H,1-3H3,(H,21,22,23)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345521
PNG
(N-(2-(2,4-difluorophenoxy)-6-(1,5- dimethyl-6-oxo-...)
Show SMILES Cc1cc(cn(C)c1=O)-c1cc(NS(=O)(=O)C2CCCC2)nc(Oc2ccc(F)cc2F)n1
Show InChI InChI=1S/C22H22F2N4O4S/c1-13-9-14(12-28(2)21(13)29)18-11-20(27-33(30,31)16-5-3-4-6-16)26-22(25-18)32-19-8-7-15(23)10-17(19)24/h7-12,16H,3-6H2,1-2H3,(H,25,26,27)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345531
PNG
(N-(6-(1,5-dimethyl-6-oxo-1,6- dihydropyridin-3-yl)...)
Show SMILES CC(C)S(=O)(=O)Nc1cc(nc(Oc2cccc3n(C)ccc23)n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C23H25N5O4S/c1-14(2)33(30,31)26-21-12-18(16-11-15(3)22(29)28(5)13-16)24-23(25-21)32-20-8-6-7-19-17(20)9-10-27(19)4/h6-14H,1-5H3,(H,24,25,26)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345747
PNG
(5-[6-Benzylamino-2-(2-fluoro-6- methyl-phenoxy)-py...)
Show SMILES Cc1cccc(F)c1Oc1nc(NCc2ccccc2)cc(n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C24H21FN4O2/c1-16-7-6-10-19(25)23(16)31-24-27-20(18-11-12-22(30)29(2)15-18)13-21(28-24)26-14-17-8-4-3-5-9-17/h3-13,15H,14H2,1-2H3,(H,26,27,28)
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345757
PNG
(5-{2-(2-Fluoro-6-methyl-phenoxy)- 6-[(pyridin-2-yl...)
Show SMILES Cc1cccc(F)c1Oc1nc(NCc2ccccn2)cc(n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C23H20FN5O2/c1-15-6-5-8-18(24)22(15)31-23-27-19(16-9-10-21(30)29(2)14-16)12-20(28-23)26-13-17-7-3-4-11-25-17/h3-12,14H,13H2,1-2H3,(H,26,27,28)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345762
PNG
((R)-5-[2-(2-Fluoro-6-methyl- phenoxy)-6-(1,2,3,4-t...)
Show SMILES Cc1cccc(F)c1Oc1nc(N[C@@H]2CCCc3ccccc23)cc(n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C27H25FN4O2/c1-17-7-5-11-21(28)26(17)34-27-30-23(19-13-14-25(33)32(2)16-19)15-24(31-27)29-22-12-6-9-18-8-3-4-10-20(18)22/h3-5,7-8,10-11,13-16,22H,6,9,12H2,1-2H3,(H,29,30,31)/t22-/m1/s1
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345763
PNG
((S)-5-[2-(2-Fluoro-6-methyl- phenoxy)-6-(1,2,3,4-t...)
Show SMILES CCC[C@H](C)Nc1cc(nc(Oc2c(C)cccc2F)n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C22H25FN4O2/c1-5-7-15(3)24-19-12-18(16-10-11-20(28)27(4)13-16)25-22(26-19)29-21-14(2)8-6-9-17(21)23/h6,8-13,15H,5,7H2,1-4H3,(H,24,25,26)/t15-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345764
PNG
(5-[2-(2-Fluoro-6-methyl-phenoxy)- 6-(3-methyl-buty...)
Show SMILES CC(C)CCNc1cc(nc(Oc2c(C)cccc2F)n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C22H25FN4O2/c1-14(2)10-11-24-19-12-18(16-8-9-20(28)27(4)13-16)25-22(26-19)29-21-15(3)6-5-7-17(21)23/h5-9,12-14H,10-11H2,1-4H3,(H,24,25,26)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345767
PNG
(5-[6-Butylamino-2-(2-chloro-6- methyl-phenoxy)-pyr...)
Show SMILES CCCCNc1cc(nc(Oc2c(C)cccc2Cl)n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C21H23ClN4O2/c1-4-5-11-23-18-12-17(15-9-10-19(27)26(3)13-15)24-21(25-18)28-20-14(2)7-6-8-16(20)22/h6-10,12-13H,4-5,11H2,1-3H3,(H,23,24,25)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345769
PNG
((S)-5-[2-(2-Chloro-6-methyl- phenoxy)-6-(1-methyl-...)
Show SMILES CCC[C@H](C)Nc1cc(nc(Oc2c(C)cccc2Cl)n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C22H25ClN4O2/c1-5-7-15(3)24-19-12-18(16-10-11-20(28)27(4)13-16)25-22(26-19)29-21-14(2)8-6-9-17(21)23/h6,8-13,15H,5,7H2,1-4H3,(H,24,25,26)/t15-/m0/s1
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345781
PNG
(5-[2-Methoxy-6-(1-methyl- butylamino)-pyrimidin-4-...)
Show SMILES CCCC(C)Nc1cc(nc(OC)n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C16H22N4O2/c1-5-6-11(2)17-14-9-13(18-16(19-14)22-4)12-7-8-15(21)20(3)10-12/h7-11H,5-6H2,1-4H3,(H,17,18,19)
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n/an/a 2.75E+3n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345785
PNG
(5-{2-Methoxy-6-[(pyridin-3- ylmethyl)-amino]-pyrim...)
Show SMILES COc1nc(NCc2cccnc2)cc(n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C17H17N5O2/c1-22-11-13(5-6-16(22)23)14-8-15(21-17(20-14)24-2)19-10-12-4-3-7-18-9-12/h3-9,11H,10H2,1-2H3,(H,19,20,21)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345799
PNG
(N-(2-(2,4-difluoro-6- methylphenoxy)-6-(1-methyl-6...)
Show SMILES CCCS(=O)(=O)Nc1cc(nc(Oc2c(C)cc(F)cc2F)n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H20F2N4O4S/c1-4-7-31(28,29)25-17-10-16(13-5-6-18(27)26(3)11-13)23-20(24-17)30-19-12(2)8-14(21)9-15(19)22/h5-6,8-11H,4,7H2,1-3H3,(H,23,24,25)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345810
PNG
(N-(2-isopropoxy-6-(1-methyl-6-oxo- 1,6-dihydropyri...)
Show SMILES CC(C)Oc1nc(NS(=O)(=O)c2ccccc2)cc(n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C19H20N4O4S/c1-13(2)27-19-20-16(14-9-10-18(24)23(3)12-14)11-17(21-19)22-28(25,26)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,20,21,22)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM345466
PNG
(Propane-2-sulfonic acid [2-(2- cyano-6-methoxy-phe...)
Show SMILES COc1cccc(C#N)c1Oc1nc(NS(=O)(=O)C(C)C)cc(n1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C22H23N5O5S/c1-13(2)33(29,30)26-19-10-17(16-9-14(3)21(28)27(4)12-16)24-22(25-19)32-20-15(11-23)7-6-8-18(20)31-5/h6-10,12-13H,1-5H3,(H,24,25,26)
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n/an/a<500n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag ...


US Patent US10202360 (2019)

More data for this
Ligand-Target Pair
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