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Compile Data Set for Download or QSAR

Found 678 hits with Last Name = 'de leon boenig' and Initial = 'g'   
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))
BDBM50269847
PNG
(CHEMBL4097025)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)
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n/an/a 0.940n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50269857
PNG
(CHEMBL4088793)
Show SMILES CC(=O)N1CCC(CC1)n1nc(N2CCCc3cc(-c4cnn(C)c4)c(cc23)C(F)F)c2CN(CCc12)C(C)=O
Show InChI InChI=1S/C29H35F2N7O2/c1-18(39)35-10-6-22(7-11-35)38-26-8-12-36(19(2)40)17-25(26)29(33-38)37-9-4-5-20-13-23(21-15-32-34(3)16-21)24(28(30)31)14-27(20)37/h13-16,22,28H,4-12,17H2,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50269848
PNG
(CHEMBL4069831)
Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3nn(C4CCOCC4)c4CCN(Cc34)C(N)=O)c2cc1C(F)F
Show InChI InChI=1S/C26H31F2N7O2/c1-32-14-17(13-30-32)19-11-16-3-2-7-34(23(16)12-20(19)24(27)28)25-21-15-33(26(29)36)8-4-22(21)35(31-25)18-5-9-37-10-6-18/h11-14,18,24H,2-10,15H2,1H3,(H2,29,36)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50269849
PNG
(CHEMBL4076748)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H32F2N6O2/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-37-11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50269855
PNG
(CHEMBL4061161)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCS(=O)(=O)CC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H32F2N6O3S/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-39(37,38)11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

More data for this
Ligand-Target Pair
Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50269847
PNG
(CHEMBL4097025)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged P300 measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50269856
PNG
(CHEMBL4060566)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCN(CC1)S(C)(=O)=O)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C28H35F2N7O3S/c1-18(38)34-10-8-25-24(17-34)28(32-37(25)21-6-11-35(12-7-21)41(3,39)40)36-9-4-5-19-13-22(20-15-31-33(2)16-20)23(27(29)30)14-26(19)36/h13-16,21,27H,4-12,17H2,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

More data for this
Ligand-Target Pair
Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50269849
PNG
(CHEMBL4076748)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H32F2N6O2/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-37-11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged P300 measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50269850
PNG
(CHEMBL4061600)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C26H30F2N6O2/c1-16(35)32-8-5-23-22(14-32)26(30-34(23)19-6-9-36-15-19)33-7-3-4-17-10-20(18-12-29-31(2)13-18)21(25(27)28)11-24(17)33/h10-13,19,25H,3-9,14-15H2,1-2H3/t19-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50269907
PNG
(CHEMBL4080905)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCNCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H33F2N7O/c1-17(37)34-11-7-24-23(16-34)27(32-36(24)20-5-8-30-9-6-20)35-10-3-4-18-12-21(19-14-31-33(2)15-19)22(26(28)29)13-25(18)35/h12-15,20,26,30H,3-11,16H2,1-2H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50269914
PNG
(CHEMBL4083416)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)(F)F
Show InChI InChI=1S/C26H29F3N6O2/c1-16(36)33-8-5-23-21(14-33)25(31-35(23)19-6-9-37-15-19)34-7-3-4-17-10-20(18-12-30-32(2)13-18)22(11-24(17)34)26(27,28)29/h10-13,19H,3-9,14-15H2,1-2H3/t19-/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50269906
PNG
(CHEMBL4098938)
Show SMILES CN1CCC(CC1)n1nc(N2CCCc3cc(-c4cnn(C)c4)c(cc23)C(F)F)c2CN(CCc12)C(C)=O
Show InChI InChI=1S/C28H35F2N7O/c1-18(38)35-12-8-25-24(17-35)28(32-37(25)21-6-10-33(2)11-7-21)36-9-4-5-19-13-22(20-15-31-34(3)16-20)23(27(29)30)14-26(19)36/h13-16,21,27H,4-12,17H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50250892
PNG
(CHEMBL4061254)
Show SMILES CNC(=O)c1c[nH]c2c(nc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F)C(C)C
Show InChI InChI=1S/C26H28F2N6O/c1-14(2)23-24-18(20(12-30-24)26(35)29-3)10-22(32-23)34-7-5-6-15-8-17(16-11-31-33(4)13-16)19(25(27)28)9-21(15)34/h8-14,25,30H,5-7H2,1-4H3,(H,29,35)
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n/an/a 2.20n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)

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


(Homo sapiens (Human))
BDBM50269908
PNG
(CHEMBL4091202)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCCCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C28H34F2N6O/c1-18(37)34-12-10-25-24(17-34)28(32-36(25)21-8-4-3-5-9-21)35-11-6-7-19-13-22(20-15-31-33(2)16-20)23(27(29)30)14-26(19)35/h13-16,21,27H,3-12,17H2,1-2H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50250880
PNG
(CHEMBL4068116)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2N1
Show InChI InChI=1/C24H25F2N5O/c1-14-9-22(32)29-19-6-3-7-20(23(19)28-14)31-8-4-5-15-10-17(16-12-27-30(2)13-16)18(24(25)26)11-21(15)31/h3,6-7,10-14,24,28H,4-5,8-9H2,1-2H3,(H,29,32)/t14-/s2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)

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


(Homo sapiens (Human))
BDBM50250911
PNG
(CHEMBL4095153)
Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3cc(N4CCOCC4)c4n(C)c(=O)n(C)c4c3)c2cc1C(F)F
Show InChI InChI=1S/C27H30F2N6O2/c1-31-16-18(15-30-31)20-11-17-5-4-6-35(22(17)14-21(20)26(28)29)19-12-23-25(33(3)27(36)32(23)2)24(13-19)34-7-9-37-10-8-34/h11-16,26H,4-10H2,1-3H3
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n/an/a 3.60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)

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


(Homo sapiens (Human))
BDBM50269909
PNG
(CHEMBL4099857)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(-c3cnn(C)c3)c(Cl)cc12
Show InChI InChI=1S/C25H29ClN6O2/c1-16(33)30-8-5-23-21(14-30)25(28-32(23)19-6-9-34-15-19)31-7-3-4-17-10-20(22(26)11-24(17)31)18-12-27-29(2)13-18/h10-13,19H,3-9,14-15H2,1-2H3/t19-/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50269852
PNG
(CHEMBL4062259)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(-c3cnn(C)c3)c(C)cc12
Show InChI InChI=1S/C26H32N6O2/c1-17-11-25-19(12-22(17)20-13-27-29(3)14-20)5-4-8-31(25)26-23-15-30(18(2)33)9-6-24(23)32(28-26)21-7-10-34-16-21/h11-14,21H,4-10,15-16H2,1-3H3/t21-/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50269851
PNG
(CHEMBL4072979)
Show SMILES COc1cc2N(CCCc2cc1-c1cnn(C)c1)c1nn([C@H]2CCOC2)c2CCN(Cc12)C(C)=O
Show InChI InChI=1S/C26H32N6O3/c1-17(33)30-9-6-23-22(15-30)26(28-32(23)20-7-10-35-16-20)31-8-4-5-18-11-21(19-13-27-29(2)14-19)25(34-3)12-24(18)31/h11-14,20H,4-10,15-16H2,1-3H3/t20-/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50250913
PNG
(CHEMBL4073812)
Show SMILES CNC(=O)c1c[nH]c2cnc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C23H22F2N6O/c1-26-23(32)18-10-27-19-11-28-21(8-16(18)19)31-5-3-4-13-6-15(14-9-29-30(2)12-14)17(22(24)25)7-20(13)31/h6-12,22,27H,3-5H2,1-2H3,(H,26,32)
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n/an/a 5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50035907
PNG
(CHEMBL3361050)
Show SMILES CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H32F3N3O4S2/c1-18(2)16-30(17-19-6-4-5-7-23(19)24(25,26)27)36(33,34)22-10-8-20(9-11-22)28-21-12-14-29(15-13-21)35(3,31)32/h4-11,18,21,28H,12-17H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50035909
PNG
(CHEMBL3361052)
Show SMILES CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H31F3N2O5S2/c1-18(2)16-29(17-19-6-4-5-7-23(19)24(25,26)27)36(32,33)22-10-8-20(9-11-22)34-21-12-14-28(15-13-21)35(3,30)31/h4-11,18,21H,12-17H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50269847
PNG
(CHEMBL4097025)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)
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n/an/a 6.20n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated human CBP expressed in HEK293 cells after overnight incubation by BRE...


J Med Chem 60: 9162-9183 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50035910
PNG
(CHEMBL3361053)
Show SMILES CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(=O)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H31F3N2O5S2/c1-18(2)16-30(17-21-6-4-5-7-23(21)25(26,27)28)37(34,35)22-10-8-19(9-11-22)24(31)20-12-14-29(15-13-20)36(3,32)33/h4-11,18,20H,12-17H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50035914
PNG
(CHEMBL3361057)
Show SMILES CC(C)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-5-18(23)15-19)32(28,29)22-9-7-20(8-10-22)30-21-11-13-24(14-12-21)31(3,26)27/h4-10,15,17,21H,11-14,16H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50035906
PNG
(CHEMBL3361049)
Show SMILES CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H30F3N3O3S/c1-18(2)16-30(17-20-6-4-5-7-23(20)24(25,26)27)34(32,33)22-10-8-21(9-11-22)29-14-12-28(13-15-29)19(3)31/h4-11,18H,12-17H2,1-3H3
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n/an/a 9.20n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250896
PNG
(CHEMBL4065346)
Show SMILES CNC(=O)c1c[nH]c2ccc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C24H23F2N5O/c1-27-24(32)20-12-28-21-6-5-16(9-18(20)21)31-7-3-4-14-8-17(15-11-29-30(2)13-15)19(23(25)26)10-22(14)31/h5-6,8-13,23,28H,3-4,7H2,1-2H3,(H,27,32)
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n/an/a 9.5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200375
PNG
(CHEMBL3902514)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1ccccc1)nn2CC1CC1
Show InChI InChI=1S/C24H26N4O/c1-17(29)27-13-12-23-22(16-27)24(26-28(23)15-18-10-11-18)25-21-9-5-8-20(14-21)19-6-3-2-4-7-19/h2-9,14,18H,10-13,15-16H2,1H3,(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50035911
PNG
(CHEMBL3361054)
Show SMILES CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1/C25H33F3N2O5S2/c1-18(2)16-30(17-21-6-4-5-7-23(21)25(26,27)28)37(34,35)22-10-8-19(9-11-22)24(31)20-12-14-29(15-13-20)36(3,32)33/h4-11,18,20,24,31H,12-17H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50269849
PNG
(CHEMBL4076748)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H32F2N6O2/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-37-11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated human CBP expressed in HEK293 cells after overnight incubation by BRE...


J Med Chem 60: 9162-9183 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50035885
PNG
(CHEMBL3361064)
Show SMILES CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cn1
Show InChI InChI=1S/C23H30F3N3O5S2/c1-17(2)15-29(16-18-6-4-5-7-21(18)23(24,25)26)36(32,33)22-9-8-20(14-27-22)34-19-10-12-28(13-11-19)35(3,30)31/h4-9,14,17,19H,10-13,15-16H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250909
PNG
(CHEMBL4076254)
Show SMILES CNC(=O)N1CCOc2ccc(cc2C1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C25H27F2N5O2/c1-28-25(33)31-8-9-34-23-6-5-19(10-17(23)15-31)32-7-3-4-16-11-20(18-13-29-30(2)14-18)21(24(26)27)12-22(16)32/h5-6,10-14,24H,3-4,7-9,15H2,1-2H3,(H,28,33)
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n/an/a 13n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50035912
PNG
(CHEMBL3361055)
Show SMILES CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C=C2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C25H31F3N2O4S2/c1-19(2)17-30(18-22-6-4-5-7-24(22)25(26,27)28)36(33,34)23-10-8-20(9-11-23)16-21-12-14-29(15-13-21)35(3,31)32/h4-11,16,19H,12-15,17-18H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50035917
PNG
(CHEMBL3361060)
Show SMILES CC(C)CN(c1cccc(c1)C#N)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H29N3O5S2/c1-18(2)17-26(20-6-4-5-19(15-20)16-24)33(29,30)23-9-7-21(8-10-23)31-22-11-13-25(14-12-22)32(3,27)28/h4-10,15,18,22H,11-14,17H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50035918
PNG
(CHEMBL3361061)
Show SMILES CC(C)CN(c1ccc(cc1)C#N)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H29N3O5S2/c1-18(2)17-26(20-6-4-19(16-24)5-7-20)33(29,30)23-10-8-21(9-11-23)31-22-12-14-25(15-13-22)32(3,27)28/h4-11,18,22H,12-15,17H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50035915
PNG
(CHEMBL3361058)
Show SMILES CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-18(23)5-7-19)32(28,29)22-10-8-20(9-11-22)30-21-12-14-24(15-13-21)31(3,26)27/h4-11,17,21H,12-16H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50269853
PNG
(CHEMBL4077449)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2[C@H]1CCOC1)N1CCCc2cc(ccc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H30N6O2/c1-17(32)29-10-7-24-22(15-29)25(27-31(24)21-8-11-33-16-21)30-9-3-4-19-12-18(5-6-23(19)30)20-13-26-28(2)14-20/h5-6,12-14,21H,3-4,7-11,15-16H2,1-2H3/t21-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

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


(Homo sapiens (Human))
BDBM50269847
PNG
(CHEMBL4097025)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)
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n/an/a 17n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of CBP in human PBMC derived naive CD4-positive T cells assessed as decrease in FOXP3 mRNA level in Treg cells measured after 4 days by qu...


J Med Chem 60: 9162-9183 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200376
PNG
(CHEMBL3896323)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1)-c1cnn(C)c1)nn2[C@@H]1CCOC1
Show InChI InChI=1/C22H26N6O2/c1-15(29)27-9-7-21-20(13-27)22(25-28(21)19-8-10-30-14-19)24-18-5-3-16(4-6-18)17-11-23-26(2)12-17/h3-6,11-12,19H,7-10,13-14H2,1-2H3,(H,24,25)/t19-/s2
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n/an/a 20n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50200445
PNG
(CHEMBL3897393 | US9763922, Example 300)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@H]1CCOC1
Show InChI InChI=1/C22H25FN6O2/c1-14(30)28-7-5-21-18(12-28)22(26-29(21)17-6-8-31-13-17)25-20-4-3-15(9-19(20)23)16-10-24-27(2)11-16/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26)/t17-/s2
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay


J Med Chem 60: 9162-9183 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200429
PNG
(CHEMBL3981511 | US9763922, Example 67)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1cnn(C)c1)nn2CC1CC1
Show InChI InChI=1S/C22H26N6O/c1-15(29)27-9-8-21-20(14-27)22(25-28(21)12-16-6-7-16)24-19-5-3-4-17(10-19)18-11-23-26(2)13-18/h3-5,10-11,13,16H,6-9,12,14H2,1-2H3,(H,24,25)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200377
PNG
(CHEMBL3962542 | US9763922, Example 64)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1ccncc1)nn2CC1CC1
Show InChI InChI=1S/C23H25N5O/c1-16(29)27-12-9-22-21(15-27)23(26-28(22)14-17-5-6-17)25-20-4-2-3-19(13-20)18-7-10-24-11-8-18/h2-4,7-8,10-11,13,17H,5-6,9,12,14-15H2,1H3,(H,25,26)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200428
PNG
(CHEMBL3917504 | US9763922, Example 89)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1)-c1cnn(C)c1)nn2CC1CC1
Show InChI InChI=1S/C22H26N6O/c1-15(29)27-10-9-21-20(14-27)22(25-28(21)12-16-3-4-16)24-19-7-5-17(6-8-19)18-11-23-26(2)13-18/h5-8,11,13,16H,3-4,9-10,12,14H2,1-2H3,(H,24,25)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250910
PNG
(CHEMBL4072630)
Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3ccc4n(C)c(=O)n(C)c4c3)c2cc1C(F)F
Show InChI InChI=1S/C23H23F2N5O/c1-27-13-15(12-26-27)17-9-14-5-4-8-30(20(14)11-18(17)22(24)25)16-6-7-19-21(10-16)29(3)23(31)28(19)2/h6-7,9-13,22H,4-5,8H2,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)

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


(Homo sapiens (Human))
BDBM50200384
PNG
(CHEMBL3968533 | US9763922, Example 299)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@@H]1CCOC1
Show InChI InChI=1/C22H25FN6O2/c1-14(30)28-7-5-21-18(12-28)22(26-29(21)17-6-8-31-13-17)25-20-4-3-15(9-19(20)23)16-10-24-27(2)11-16/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26)/t17-/s2
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from CBP (unknown origin) by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50035902
PNG
(CHEMBL3361045)
Show SMILES CC(C)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C22H30ClN3O4S2/c1-18(2)16-26(17-19-6-4-5-7-22(19)23)32(29,30)21-10-8-20(9-11-21)24-12-14-25(15-13-24)31(3,27)28/h4-11,18H,12-17H2,1-3H3
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Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50035916
PNG
(CHEMBL3361059)
Show SMILES CC(C)CN(c1ccccc1C#N)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H29N3O5S2/c1-18(2)17-26(23-7-5-4-6-19(23)16-24)33(29,30)22-10-8-20(9-11-22)31-21-12-14-25(15-13-21)32(3,27)28/h4-11,18,21H,12-15,17H2,1-3H3
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Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis


Bioorg Med Chem Lett 24: 5769-76 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.037
BindingDB Entry DOI: 10.7270/Q2125V8F
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50269848
PNG
(CHEMBL4069831)
Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3nn(C4CCOCC4)c4CCN(Cc34)C(N)=O)c2cc1C(F)F
Show InChI InChI=1S/C26H31F2N7O2/c1-32-14-17(13-30-32)19-11-16-3-2-7-34(23(16)12-20(19)24(27)28)25-21-15-33(26(29)36)8-4-22(21)35(31-25)18-5-9-37-10-6-18/h11-14,18,24H,2-10,15H2,1H3,(H2,29,36)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated human CBP expressed in HEK293 cells after overnight incubation by BRE...


J Med Chem 60: 9162-9183 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200427
PNG
(CHEMBL3924330 | US9763922, Example 179)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1)-c1cnn(C)c1)nn2[C@H]1CCOC1
Show InChI InChI=1/C22H26N6O2/c1-15(29)27-9-7-21-20(13-27)22(25-28(21)19-8-10-30-14-19)24-18-5-3-16(4-6-18)17-11-23-26(2)12-17/h3-6,11-12,19H,7-10,13-14H2,1-2H3,(H,24,25)/t19-/s2
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl
Show InChI InChI=1/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/s2
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from CBP (unknown origin) by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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