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Compile Data Set for Download or QSAR

Found 611 hits Enz. Inhib. hit(s) with all data for entry = 1877   
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))		BDBM349500
PNG
((R,R)-6-[7-(difluoromethyl)-4-methyl-6-(l-methylpy...)
Show SMILES CN\C=C(/C=N)c1cc2[C@@H](C)CCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C25H29F2N5O/c1-14-7-8-32(21-6-4-5-20-24(21)30-15(2)9-23(33)31-20)22-11-19(25(26)27)18(10-17(14)22)16(12-28)13-29-3/h4-6,10-15,25,28-30H,7-9H2,1-3H3,(H,31,33)/b16-13+,28-12?/t14-,15+/m0/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349498
PNG
(1-methyl-4-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro...)
Show SMILES CN\C=C(/C=N)c1cc2N(C)CCN(c3cccc4NC(=O)C[C@@H](C)Nc34)c2cc1C#N |r|
Show InChI InChI=1S/C24H27N7O/c1-15-9-23(32)29-19-5-4-6-20(24(19)28-15)31-8-7-30(3)21-11-18(17(13-26)14-27-2)16(12-25)10-22(21)31/h4-6,10-11,13-15,26-28H,7-9H2,1-3H3,(H,29,32)/b17-14+,26-13?/t15-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349496
PNG
((difluoromethyl)-5-(1- | US10206931, Example 304)
Show SMILES CN\C=C(/C=N)c1cc2CCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C23H25F2N5O/c1-13-8-21(31)29-18-4-3-5-19(22(18)28-13)30-7-6-14-9-16(15(11-26)12-27-2)17(23(24)25)10-20(14)30/h3-5,9-13,23,26-28H,6-8H2,1-2H3,(H,29,31)/b15-12+,26-11?/t13-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349483
PNG
((difluoromethyl)-6-(1- | US10206931, Example 291)
Show SMILES CN\C=C(/C=N)c1cc2CCCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C24H27F2N5O/c1-14-9-22(32)30-19-6-3-7-20(23(19)29-14)31-8-4-5-15-10-17(16(12-27)13-28-2)18(24(25)26)11-21(15)31/h3,6-7,10-14,24,27-29H,4-5,8-9H2,1-2H3,(H,30,32)/b16-13+,27-12?/t14-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349503
PNG
(5-[7-(difluoromethyl)-1-[(4R)-4-methyl-2-oxo-1,3,4...)
Show SMILES CNC(=O)c1ccc(cn1)-c1cc2CCCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C27H27F2N5O2/c1-15-11-24(35)33-20-6-3-7-22(25(20)32-15)34-10-4-5-16-12-18(19(26(28)29)13-23(16)34)17-8-9-21(31-14-17)27(36)30-2/h3,6-9,12-15,26,32H,4-5,10-11H2,1-2H3,(H,30,36)(H,33,35)/t15-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349497
PNG
((4R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl...)
Show SMILES CN\C=C(/C=N)c1cc2CCCN(c2cc1C(F)F)c1nccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C23H26F2N6O/c1-13-8-20(32)30-18-5-6-28-23(21(18)29-13)31-7-3-4-14-9-16(15(11-26)12-27-2)17(22(24)25)10-19(14)31/h5-6,9-13,22,26-27,29H,3-4,7-8H2,1-2H3,(H,30,32)/b15-12+,26-11?/t13-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349484
PNG
(US10206931, Example 292 | oxo-1,3,4,5-tetrahydro-)
Show SMILES CN\C=C(/C=N)c1cc2CCCN(c2cc1C#N)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C24H26N6O/c1-15-9-23(31)29-20-6-3-7-21(24(20)28-15)30-8-4-5-16-10-19(18(13-26)14-27-2)17(12-25)11-22(16)30/h3,6-7,10-11,13-15,26-28H,4-5,8-9H2,1-2H3,(H,29,31)/b18-14+,26-13?/t15-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349491
PNG
((difluoromethyl)-2- | US10206931, Example 299)
Show SMILES CN\C=C(/C=N)c1cc(F)c(Nc2cccc3NC(=O)C[C@@H](C)Nc23)cc1C(F)F |r|
Show InChI InChI=1S/C21H22F3N5O/c1-11-6-19(30)29-17-5-3-4-16(20(17)27-11)28-18-8-14(21(23)24)13(7-15(18)22)12(9-25)10-26-2/h3-5,7-11,21,25-28H,6H2,1-2H3,(H,29,30)/b12-10+,25-9?/t11-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349501
PNG
((R,S)-6-[7-(difluoromethyl)-3-methyl-6-(1-methylpy...)
Show SMILES CN\C=C(/C=N)c1cc2C[C@H](C)CN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C25H29F2N5O/c1-14-7-16-9-18(17(11-28)12-29-3)19(25(26)27)10-22(16)32(13-14)21-6-4-5-20-24(21)30-15(2)8-23(33)31-20/h4-6,9-12,14-15,25,28-30H,7-8,13H2,1-3H3,(H,31,33)/b17-12+,28-11?/t14-,15+/m0/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349486
PNG
(US10206931, Example 294 | methyl-6-(1-)
Show SMILES CN\C=C(/C=N)c1ccc2N(CC[C@H](C)c2c1)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C24H29N5O/c1-15-9-10-29(21-8-7-17(12-19(15)21)18(13-25)14-26-3)22-6-4-5-20-24(22)27-16(2)11-23(30)28-20/h4-8,12-16,25-27H,9-11H2,1-3H3,(H,28,30)/b18-14+,25-13?/t15-,16+/m0/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349488
PNG
(US10206931, Example 296 | methylpyrazol-4-)
Show SMILES CN\C=C(/C=N)c1cccc(Nc2cccc3NC(=O)C[C@@H](C)Nc23)c1 |r|
Show InChI InChI=1S/C20H23N5O/c1-13-9-19(26)25-18-8-4-7-17(20(18)23-13)24-16-6-3-5-14(10-16)15(11-21)12-22-2/h3-8,10-13,21-24H,9H2,1-2H3,(H,25,26)/b15-12+,21-11?/t13-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349504
PNG
((4R)-4-methyl-6-[3-(1-methylpyrazol-1-yl)-8-isoqui...)
Show SMILES CN\C=C(/C=N)c1cc2cccc(-c3cccc4NC(=O)C[C@@H](C)Nc34)c2cn1 |r|
Show InChI InChI=1S/C23H23N5O/c1-14-9-22(29)28-20-8-4-7-18(23(20)27-14)17-6-3-5-15-10-21(26-13-19(15)17)16(11-24)12-25-2/h3-8,10-14,24-25,27H,9H2,1-2H3,(H,28,29)/b16-12+,24-11?/t14-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349278
PNG
((2R)-6-fluoro-2- | US10206931, Example 85)
Show SMILES CN\C=C(/C=N)C(=N)c1cc(ccc1NC)-c1ccc(F)c2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C22H25FN6O/c1-12-8-19(30)29-22-17(23)6-5-15(21(22)28-12)13-4-7-18(27-3)16(9-13)20(25)14(10-24)11-26-2/h4-7,9-12,24-28H,8H2,1-3H3,(H,29,30)/b14-11+,24-10?,25-20?/t12-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349494
PNG
(US10206931, Example 302 | oxo-1,3,4,5-tetrahydro-)
Show SMILES CN\C=C(/C=N)c1cc2CCN(c2cc1C#N)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C23H24N6O/c1-14-8-22(30)28-19-4-3-5-20(23(19)27-14)29-7-6-15-9-18(17(12-25)13-26-2)16(11-24)10-21(15)29/h3-5,9-10,12-14,25-27H,6-8H2,1-2H3,(H,28,30)/b17-13+,25-12?/t14-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349492
PNG
(US10206931, Example 300 | methyl-2-oxo-1,3,4,5-)
Show SMILES CN\C=C(/C=N)c1cc(F)c(Nc2cccc3NC(=O)C[C@@H](C)Nc23)cc1C#N |r|
Show InChI InChI=1S/C21H21FN6O/c1-12-6-20(29)28-18-5-3-4-17(21(18)26-12)27-19-7-13(9-23)15(8-16(19)22)14(10-24)11-25-2/h3-5,7-8,10-12,24-27H,6H2,1-2H3,(H,28,29)/b14-11+,24-10?/t12-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349482
PNG
((R)-4-methyl-6-(6-(1-methyl-1H-pyrazol-4-yl)-3,4-d...)
Show SMILES CN\C=C(/C=N)c1ccc2N(CCCc2c1)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C23H27N5O/c1-15-11-22(29)27-19-6-3-7-21(23(19)26-15)28-10-4-5-17-12-16(8-9-20(17)28)18(13-24)14-25-2/h3,6-9,12-15,24-26H,4-5,10-11H2,1-2H3,(H,27,29)/b18-14+,24-13?/t15-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349502
PNG
((R,S)-6-[7-(difluoromethyl)-3-methyl-6-(1-methylpy...)
Show SMILES CN\C=C(/C=N)c1cc2C[C@@H](C)CN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C25H29F2N5O/c1-14-7-16-9-18(17(11-28)12-29-3)19(25(26)27)10-22(16)32(13-14)21-6-4-5-20-24(21)30-15(2)8-23(33)31-20/h4-6,9-12,14-15,25,28-30H,7-8,13H2,1-3H3,(H,31,33)/b17-12+,28-11?/t14-,15-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349499
PNG
((R,R)-6-[7-(difluoromethyl)-4-methyl-6-(l-methylpy...)
Show SMILES CN\C=C(/C=N)c1cc2[C@H](C)CCN(c2cc1C(F)F)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C25H29F2N5O/c1-14-7-8-32(21-6-4-5-20-24(21)30-15(2)9-23(33)31-20)22-11-19(25(26)27)18(10-17(14)22)16(12-28)13-29-3/h4-6,10-15,25,28-30H,7-9H2,1-3H3,(H,31,33)/b16-13+,28-12?/t14-,15-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349226
PNG
((4R)-4-methyl-6-[1-methyl-3-(1-methylpyrazol-4-yl)...)
Show SMILES CN\C=C(/C=N)C(=N)c1cc(ccc1NC)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C22H26N6O/c1-13-9-20(29)28-19-6-4-5-16(22(19)27-13)14-7-8-18(26-3)17(10-14)21(24)15(11-23)12-25-2/h4-8,10-13,23-27H,9H2,1-3H3,(H,28,29)/b15-12+,23-11?,24-21?/t13-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349489
PNG
(US10206931, Example 297 | methylpyrazol-4-)
Show SMILES CN\C=C(/C=N)c1ccc(Nc2cccc3NC(=O)C[C@@H](C)Nc23)cc1 |r|
Show InChI InChI=1S/C20H23N5O/c1-13-10-19(26)25-18-5-3-4-17(20(18)23-13)24-16-8-6-14(7-9-16)15(11-21)12-22-2/h3-9,11-13,21-24H,10H2,1-2H3,(H,25,26)/b15-12+,21-11?/t13-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349277
PNG
((2R)-9-(3-cyclopropyl-1-methyl-indazol-5-yl)-6-flu...)
Show SMILES CNc1ccc(cc1C(=N)C1CC1)-c1ccc(F)c2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C21H23FN4O/c1-11-9-18(27)26-21-16(22)7-6-14(20(21)25-11)13-5-8-17(24-2)15(10-13)19(23)12-3-4-12/h5-8,10-12,23-25H,3-4,9H2,1-2H3,(H,26,27)/t11-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349227
PNG
((4R)-4-methyl-6-[3-(1-methylpyrazol-4-yl)-1H-indaz...)
Show SMILES CN\C=C(/C=N)C(=N)c1cc(ccc1N)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C21H24N6O/c1-12-8-19(28)27-18-5-3-4-15(21(18)26-12)13-6-7-17(23)16(9-13)20(24)14(10-22)11-25-2/h3-7,9-12,22,24-26H,8,23H2,1-2H3,(H,27,28)/b14-11+,22-10?,24-20?/t12-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349273
PNG
((2R)-6-chloro-9-(3-cyclopropyl-1-methyl-indazol-5-...)
Show SMILES CNc1ccc(cc1C(=N)C1CC1)-c1ccc(Cl)c2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C21H23ClN4O/c1-11-9-18(27)26-21-16(22)7-6-14(20(21)25-11)13-5-8-17(24-2)15(10-13)19(23)12-3-4-12/h5-8,10-12,23-25H,3-4,9H2,1-2H3,(H,26,27)/t11-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349485
PNG
(US10206931, Example 293 | methyl-6-(1-)
Show SMILES CN\C=C(/C=N)c1ccc2N(CC[C@@H](C)c2c1)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C24H29N5O/c1-15-9-10-29(21-8-7-17(12-19(15)21)18(13-25)14-26-3)22-6-4-5-20-24(22)27-16(2)11-23(30)28-20/h4-8,12-16,25-27H,9-11H2,1-3H3,(H,28,30)/b18-14+,25-13?/t15-,16-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349249
PNG
((4R)-6-(1-tert-butyl-3-methyl-indol-2-yl)-4-methyl...)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3c(C)c4ccccc4n3C(C)(C)C)c2N1 |r,wU:1.0,(4.32,-.02,;3.55,1.31,;4.21,2.7,;3.55,4.09,;4.32,5.42,;2.04,4.43,;.84,3.47,;-.49,4.24,;-1.83,3.47,;-1.83,1.93,;-.49,1.16,;-.49,-.38,;.75,-1.29,;2.09,-.52,;.28,-2.75,;1.05,-4.09,;.28,-5.42,;-1.26,-5.42,;-2.03,-4.09,;-1.26,-2.75,;-1.74,-1.29,;-3.23,-.89,;-4.32,-1.98,;-2.14,.2,;-3.63,.6,;.84,1.93,;2.04,.97,)|
Show InChI InChI=1S/C23H27N3O/c1-14-13-20(27)25-18-11-8-10-17(21(18)24-14)22-15(2)16-9-6-7-12-19(16)26(22)23(3,4)5/h6-12,14,24H,13H2,1-5H3,(H,25,27)/t14-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349302
PNG
((4R)-6-(3-cyclopropyl-1-methyl-indazol-5-yl)-4-met...)
Show SMILES CNc1ccc(cc1C(=N)C1CC1)-c1cccc2NC(=O)C[C@H](C)Cc12 |r|
Show InChI InChI=1S/C22H25N3O/c1-13-10-17-16(4-3-5-20(17)25-21(26)11-13)15-8-9-19(24-2)18(12-15)22(23)14-6-7-14/h3-5,8-9,12-14,23-24H,6-7,10-11H2,1-2H3,(H,25,26)/t13-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349490
PNG
(US10206931, Example 298 | methylpyrazol-4-)
Show SMILES CN\C=C(/C=N)c1ccc(Nc2cccc3NC(=O)C[C@@H](C)Nc23)c(F)c1 |r|
Show InChI InChI=1S/C20H22FN5O/c1-12-8-19(27)26-18-5-3-4-17(20(18)24-12)25-16-7-6-13(9-15(16)21)14(10-22)11-23-2/h3-7,9-12,22-25H,8H2,1-2H3,(H,26,27)/b14-11+,22-10?/t12-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349253
PNG
((4R)-4-methyl-6-[1-methyl-6-(1-methylpyrazol-4-yl)...)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccc(cc4n3C)-c3cnn(C)c3)c2N1 |r|
Show InChI InChI=1S/C23H23N5O/c1-14-9-22(29)26-19-6-4-5-18(23(19)25-14)21-11-16-8-7-15(10-20(16)28(21)3)17-12-24-27(2)13-17/h4-8,10-14,25H,9H2,1-3H3,(H,26,29)/t14-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50178163
PNG
(CHEMBL3813846 | US10206931, Example 286)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3cccc(OCc4ccccc4)c3)c2N1 |r|
Show InChI InChI=1S/C23H22N2O2/c1-16-13-22(26)25-21-12-6-11-20(23(21)24-16)18-9-5-10-19(14-18)27-15-17-7-3-2-4-8-17/h2-12,14,16,24H,13,15H2,1H3,(H,25,26)/t16-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))		BDBM349279
PNG
((2R)-9-(3-cyclopropyl-1-methyl-indazol-5-yl)-6-met...)
Show SMILES CNc1ccc(cc1C(=N)C1CC1)-c1ccc(OC)c2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C22H26N4O2/c1-12-10-19(27)26-22-18(28-3)9-7-15(21(22)25-12)14-6-8-17(24-2)16(11-14)20(23)13-4-5-13/h6-9,11-13,23-25H,4-5,10H2,1-3H3,(H,26,27)/t12-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349493
PNG
(US10206931, Example 301 | methylpyrazol-4-)
Show SMILES CN\C=C(/C=N)c1ccc2N(CCc2c1)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C22H25N5O/c1-14-10-21(28)26-18-4-3-5-20(22(18)25-14)27-9-8-16-11-15(6-7-19(16)27)17(12-23)13-24-2/h3-7,11-14,23-25H,8-10H2,1-2H3,(H,26,28)/b17-13+,23-12?/t14-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50178220
PNG
(CHEMBL3814550 | US10206931, Example 57)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C5CC5)c4c3)c2N1 |r|
Show InChI InChI=1S/C21H22N4O/c1-12-10-19(26)23-17-5-3-4-15(21(17)22-12)14-8-9-18-16(11-14)20(13-6-7-13)24-25(18)2/h3-5,8-9,11-13,22H,6-7,10H2,1-2H3,(H,23,26)/t12-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))		BDBM349495
PNG
(US10206931, Example 303 | methylpyrazol-4-)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(N3CCc4ccc(cc34)-c3cnn(C)c3)c2N1 |r|
Show InChI InChI=1S/C22H23N5O/c1-14-10-21(28)25-18-4-3-5-19(22(18)24-14)27-9-8-15-6-7-16(11-20(15)27)17-12-23-26(2)13-17/h3-7,11-14,24H,8-10H2,1-2H3,(H,25,28)/t14-/m1/s1
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n/an/a 52n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349283
PNG
((2R)-2-methyl-9-[1- | US10206931, Example 90)
Show SMILES CN\C=C(/C=N)C(=N)c1cc(ccc1NC)-c1cncc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C21H25N7O/c1-12-6-19(29)28-18-11-26-10-16(21(18)27-12)13-4-5-17(25-3)15(7-13)20(23)14(8-22)9-24-2/h4-5,7-12,22-25,27H,6H2,1-3H3,(H,28,29)/b14-9+,22-8?,23-20?/t12-/m1/s1
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n/an/a 52n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349287
PNG
((4R)-4-methyl-6-[1-methyl-3-(1-methylpyrazol-4-yl)...)
Show SMILES CN\C=C(/C=N)C(=N)c1cc(ccc1NC)-c1nccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C21H25N7O/c1-12-8-18(29)28-17-6-7-26-20(21(17)27-12)13-4-5-16(25-3)15(9-13)19(23)14(10-22)11-24-2/h4-7,9-12,22-25,27H,8H2,1-3H3,(H,28,29)/b14-11+,22-10?,23-19?/t12-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349228
PNG
((4R)-6-[1-(2-hydroxyethyl)-3-(1-methylpyrazol-4-yl...)
Show SMILES CN\C=C(/C=N)C(=N)c1cc(ccc1NCCO)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C23H28N6O2/c1-14-10-21(31)29-20-5-3-4-17(23(20)28-14)15-6-7-19(27-8-9-30)18(11-15)22(25)16(12-24)13-26-2/h3-7,11-14,24-28,30H,8-10H2,1-2H3,(H,29,31)/b16-13+,24-12?,25-22?/t14-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349254
PNG
((4R)-4-methyl-6-[1-methyl-7-(1-methylpyrazol-4-yl)...)
Show SMILES CN\C=C(/C=N)c1cccc2cc(-c3cccc4NC(=O)C[C@@H](C)Nc34)n(C)c12 |r|
Show InChI InChI=1S/C23H25N5O/c1-14-10-21(29)27-19-9-5-8-18(22(19)26-14)20-11-15-6-4-7-17(23(15)28(20)3)16(12-24)13-25-2/h4-9,11-14,24-26H,10H2,1-3H3,(H,27,29)/b16-13+,24-12?/t14-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349276
PNG
((4R)-6-(3-cyclopropyl-1-methyl-indazol-5-yl)-4-met...)
Show SMILES CNc1ccc(cc1C(=N)C1CC1)-c1ccc(C#N)c2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C22H23N5O/c1-12-9-19(28)27-21-15(11-23)5-7-16(22(21)26-12)14-6-8-18(25-2)17(10-14)20(24)13-3-4-13/h5-8,10,12-13,24-26H,3-4,9H2,1-2H3,(H,27,28)/t12-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349280
PNG
((4R)-8-chloro-6-(3-cyclopropyl-1-methyl-indazol-5-...)
Show SMILES CNc1ccc(cc1C(=N)C1CC1)-c1cc(Cl)cc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C21H23ClN4O/c1-11-7-19(27)26-18-10-14(22)9-15(21(18)25-11)13-5-6-17(24-2)16(8-13)20(23)12-3-4-12/h5-6,8-12,23-25H,3-4,7H2,1-2H3,(H,26,27)/t11-/m1/s1
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n/an/a 83n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349358
PNG
((2R)-9-(3-cyclopropyl-1- | US10206931, Example 166)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C5CC5)c4c3)c2O1 |r|
Show InChI InChI=1S/C21H21N3O2/c1-12-10-19(25)22-17-5-3-4-15(21(17)26-12)14-8-9-18-16(11-14)20(13-6-7-13)23-24(18)2/h3-5,8-9,11-13H,6-7,10H2,1-2H3,(H,22,25)/t12-/m1/s1
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n/an/a 86n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349405
PNG
(N-(3-isopropoxyphenyl)- | US10206931, Example 213)
Show SMILES CC(C)Oc1cccc(NC(=O)c2cccc3NC(=O)CC(C)Nc23)c1
Show InChI InChI=1S/C20H23N3O3/c1-12(2)26-15-7-4-6-14(11-15)22-20(25)16-8-5-9-17-19(16)21-13(3)10-18(24)23-17/h4-9,11-13,21H,10H2,1-3H3,(H,22,25)(H,23,24)
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n/an/a 93n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349285
PNG
((4R)-6-(3-cyclopropyl-1-methyl-indazol-5-yl)-8-flu...)
Show SMILES CNc1ccc(cc1C(=N)C1CC1)-c1cc(F)cc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C21H23FN4O/c1-11-7-19(27)26-18-10-14(22)9-15(21(18)25-11)13-5-6-17(24-2)16(8-13)20(23)12-3-4-12/h5-6,8-12,23-25H,3-4,7H2,1-2H3,(H,26,27)/t11-/m1/s1
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n/an/a 98n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349275
PNG
((4R)-6-(3-cyclopropyl-1-methyl-indazol-5-yl)-4,9-d...)
Show SMILES CNc1ccc(cc1C(=N)C1CC1)-c1ccc(C)c2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C22H26N4O/c1-12-4-8-16(22-21(12)26-19(27)10-13(2)25-22)15-7-9-18(24-3)17(11-15)20(23)14-5-6-14/h4,7-9,11,13-14,23-25H,5-6,10H2,1-3H3,(H,26,27)/t13-/m1/s1
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n/an/a 99n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349292
PNG
(2-methyl-N-(3-oxazol-5- | US10206931, Example 99)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2O1 |r|
Show InChI InChI=1S/C20H17N3O4/c1-12-8-18(24)23-16-7-3-6-15(19(16)27-12)20(25)22-14-5-2-4-13(9-14)17-10-21-11-26-17/h2-7,9-12H,8H2,1H3,(H,22,25)(H,23,24)/t12-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349261
PNG
(N-(3- | US10206931, Example 68)
Show SMILES CC(C)Oc1cccc(NC(=O)c2cccc3NC(=O)C[C@@H](C)Oc23)c1 |r|
Show InChI InChI=1S/C20H22N2O4/c1-12(2)25-15-7-4-6-14(11-15)21-20(24)16-8-5-9-17-19(16)26-13(3)10-18(23)22-17/h4-9,11-13H,10H2,1-3H3,(H,21,24)(H,22,23)/t13-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349473
PNG
(US10206931, Example 281 | [(4R)-6-(3-)
Show SMILES CC(C)c1cccc(c1)-c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C19H22N2O/c1-12(2)14-6-4-7-15(11-14)16-8-5-9-17-19(16)20-13(3)10-18(22)21-17/h4-9,11-13,20H,10H2,1-3H3,(H,21,22)/t13-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349416
PNG
((4R)-4-methyl-6-[3- | US10206931, Example 224)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3cccc(c3)C(=N)NN)c2N1 |r|
Show InChI InChI=1S/C17H19N5O/c1-10-8-15(23)21-14-7-3-6-13(16(14)20-10)11-4-2-5-12(9-11)17(18)22-19/h2-7,9-10,20H,8,19H2,1H3,(H2,18,22)(H,21,23)/t10-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349284
PNG
((4R)-6-(3-cyclopropyl-1-methyl-indazol-5-yl)-4-met...)
Show SMILES CNc1ccc(cc1C(=N)C1CC1)-c1cc(cc2NC(=O)C[C@@H](C)Nc12)C(F)(F)F |r|
Show InChI InChI=1S/C22H23F3N4O/c1-11-7-19(30)29-18-10-14(22(23,24)25)9-15(21(18)28-11)13-5-6-17(27-2)16(8-13)20(26)12-3-4-12/h5-6,8-12,26-28H,3-4,7H2,1-2H3,(H,29,30)/t11-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349361
PNG
((R,E)-9-((3,4- | US10206931, Example 169)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(\C=C3/CCCc4ccccc34)c2O1 |r|
Show InChI InChI=1S/C21H21NO2/c1-14-12-20(23)22-19-11-5-9-17(21(19)24-14)13-16-8-4-7-15-6-2-3-10-18(15)16/h2-3,5-6,9-11,13-14H,4,7-8,12H2,1H3,(H,22,23)/b16-13+/t14-/m1/s1
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM349452
PNG
(US10206931, Example 260 | tert-butyl N-[3-[(4R)-)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3cccc(NC(=O)OC(C)(C)C)c3)c2N1 |r|
Show InChI InChI=1S/C21H25N3O3/c1-13-11-18(25)24-17-10-6-9-16(19(17)22-13)14-7-5-8-15(12-14)23-20(26)27-21(2,3)4/h5-10,12-13,22H,11H2,1-4H3,(H,23,26)(H,24,25)/t13-/m1/s1
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n/an/a 113n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...

US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
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