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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50000466   
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))
BDBM50250892
PNG
(CHEMBL4061254 | US10696655, Example 63 | US1116807...)
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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
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 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/a 3.40n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250911
PNG
(CHEMBL4095153 | US10696655, Example 45 | US1116807...)
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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250913
PNG
(CHEMBL4073812 | US10696655, Example 67 | US1116807...)
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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250896
PNG
(CHEMBL4065346 | US10696655, Example 52 | US1116807...)
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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50250909
PNG
(CHEMBL4076254 | US10696655, Example 113 | US111680...)
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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250910
PNG
(CHEMBL4072630 | US10696655, Example 18 | US1116807...)
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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n/an/a 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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178219
PNG
(CHEMBL3814752)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r|
Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1
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n/an/a 30n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50250898
PNG
(CHEMBL4059634 | US10696655, Example 27 | US1116807...)
Show SMILES CNC(=O)c1ccc2nccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2c1
Show InChI InChI=1S/C25H23F2N5O/c1-28-25(33)16-5-6-21-20(11-16)22(7-8-29-21)32-9-3-4-15-10-18(17-13-30-31(2)14-17)19(24(26)27)12-23(15)32/h5-8,10-14,24H,3-4,9H2,1-2H3,(H,28,33)
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n/an/a 34n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250907
PNG
(CHEMBL4095016 | US10696655, Example 19 | US1116807...)
Show SMILES CN1C(=O)CCc2ccc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C24H24F2N4O/c1-28-14-17(13-27-28)19-10-16-4-3-9-30(22(16)12-20(19)24(25)26)18-7-5-15-6-8-23(31)29(2)21(15)11-18/h5,7,10-14,24H,3-4,6,8-9H2,1-2H3
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n/an/a 38n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250905
PNG
(CHEMBL4097991 | US10696655, Example 17 | US1116807...)
Show SMILES CC(=O)N1CCc2c(C1)cc(N1CCCc3cc(-c4cnn(C)c4)c(cc13)C(F)F)c(=O)n2C
Show InChI InChI=1S/C25H27F2N5O2/c1-15(33)31-8-6-21-17(14-31)10-23(25(34)30(21)3)32-7-4-5-16-9-19(18-12-28-29(2)13-18)20(24(26)27)11-22(16)32/h9-13,24H,4-8,14H2,1-3H3
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n/an/a 47n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250891
PNG
(CHEMBL4064118 | US11168070, Example 81)
Show SMILES C[C@H]1Nc2c(NC1=O)cccc2N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F |r|
Show InChI InChI=1S/C23H23F2N5O/c1-13-23(31)28-18-6-3-7-19(21(18)27-13)30-8-4-5-14-9-16(15-11-26-29(2)12-15)17(22(24)25)10-20(14)30/h3,6-7,9-13,22,27H,4-5,8H2,1-2H3,(H,28,31)/t13-/m1/s1
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n/an/a 61n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250897
PNG
(CHEMBL4081585 | US10696655, Example 21 | US1116807...)
Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3ccc4sc(=O)n(C)c4c3)c2cc1C(F)F
Show InChI InChI=1S/C22H20F2N4OS/c1-26-12-14(11-25-26)16-8-13-4-3-7-28(18(13)10-17(16)21(23)24)15-5-6-20-19(9-15)27(2)22(29)30-20/h5-6,8-12,21H,3-4,7H2,1-2H3
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n/an/a 69n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50250908
PNG
(CHEMBL4068063 | US10696655, Example 123 | US111680...)
Show SMILES CNC(=O)Nc1cc(OC)cc(n1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C22H24F2N6O2/c1-25-22(31)28-19-8-15(32-3)9-20(27-19)30-6-4-5-13-7-16(14-11-26-29(2)12-14)17(21(23)24)10-18(13)30/h7-12,21H,4-6H2,1-3H3,(H2,25,27,28,31)
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n/an/a 120n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM55714
PNG
(3-[(3-carbethoxy-6-carbomethoxy-4-quinolyl)amino]b...)
Show SMILES CCOC(=O)c1cnc2ccc(cc2c1Nc1cccc(c1)C(O)=O)C(=O)OC
Show InChI InChI=1S/C21H18N2O6/c1-3-29-21(27)16-11-22-17-8-7-13(20(26)28-2)10-15(17)18(16)23-14-6-4-5-12(9-14)19(24)25/h4-11H,3H2,1-2H3,(H,22,23)(H,24,25)
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n/an/a 230n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50344571
PNG
(1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFO...)
Show SMILES CNC(=O)Nc1cc(OC)cc(NC(=O)NS(=O)(=O)c2cc(C)c(CCOC)s2)n1
Show InChI InChI=1S/C17H23N5O6S2/c1-10-7-15(29-12(10)5-6-27-3)30(25,26)22-17(24)21-14-9-11(28-4)8-13(19-14)20-16(23)18-2/h7-9H,5-6H2,1-4H3,(H4,18,19,20,21,22,23,24)
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n/an/a 270n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50151663
PNG
(CHEMBL3774655)
Show SMILES CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C)C1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m0/s1
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n/an/a 440n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250890
PNG
(CHEMBL4086422 | US10696655, Example 87 | US1116807...)
Show SMILES CC(=O)N1CCCc2cc(ccc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C25H26F2N4O/c1-16(32)30-9-3-5-17-11-20(7-8-23(17)30)31-10-4-6-18-12-21(19-14-28-29(2)15-19)22(25(26)27)13-24(18)31/h7-8,11-15,25H,3-6,9-10H2,1-2H3
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n/an/a 450n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250887
PNG
(CHEMBL4077375)
Show SMILES CC(=O)N1CCc2c(C1)cc(-c1cccc(Cl)c1)c(=O)n2CC1CC1
Show InChI InChI=1S/C20H21ClN2O2/c1-13(24)22-8-7-19-16(12-22)10-18(15-3-2-4-17(21)9-15)20(25)23(19)11-14-5-6-14/h2-4,9-10,14H,5-8,11-12H2,1H3
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n/an/a 540n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250895
PNG
(CHEMBL4070185)
Show SMILES COc1cccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c12 |r|
Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-18-10-4-9-17(20(18)25-15)23(29)24-12-6-14-27-13-5-8-16-7-3-11-19(30-2)21(16)27/h3-4,7,9-11,15,25H,5-6,8,12-14H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1
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n/an/a 580n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50178219
PNG
(CHEMBL3814752)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r|
Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1
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n/an/a 730n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human BRD9 (R130 to V259) expressed in bacterial cells by BromoScan assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250911
PNG
(CHEMBL4095153 | US10696655, Example 45 | US1116807...)
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 1.10E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250889
PNG
(CHEMBL4068984)
Show SMILES CNC(=O)c1cnn2ccc(nc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C22H21F2N7O/c1-25-22(32)17-11-27-31-7-5-19(28-21(17)31)30-6-3-4-13-8-15(14-10-26-29(2)12-14)16(20(23)24)9-18(13)30/h5,7-12,20H,3-4,6H2,1-2H3,(H,25,32)
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n/an/a 1.40E+3n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250892
PNG
(CHEMBL4061254 | US10696655, Example 63 | US1116807...)
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 2.30E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250894
PNG
(CHEMBL4097164)
Show SMILES CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)cc3C)ccc12
Show InChI InChI=1S/C19H21FN2O3S/c1-3-19(23)22-10-4-5-14-12-16(7-8-17(14)22)21-26(24,25)18-9-6-15(20)11-13(18)2/h6-9,11-12,21H,3-5,10H2,1-2H3
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n/an/a 3.00E+3n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250913
PNG
(CHEMBL4073812 | US10696655, Example 67 | US1116807...)
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 3.90E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250910
PNG
(CHEMBL4072630 | US10696655, Example 18 | US1116807...)
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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n/an/a 4.10E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250880
PNG
(CHEMBL4068116)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2N1 |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250888
PNG
(CHEMBL4094232)
Show SMILES CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C)s3)ccc12
Show InChI InChI=1S/C15H16N2O3S2/c1-10-3-8-15(21-10)22(19,20)16-12-5-6-13-11(9-12)4-7-14(18)17(13)2/h3,5-6,8-9,16H,4,7H2,1-2H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250890
PNG
(CHEMBL4086422 | US10696655, Example 87 | US1116807...)
Show SMILES CC(=O)N1CCCc2cc(ccc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C25H26F2N4O/c1-16(32)30-9-3-5-17-11-20(7-8-23(17)30)31-10-4-6-18-12-21(19-14-28-29(2)15-19)22(25(26)27)13-24(18)31/h7-8,11-15,25H,3-6,9-10H2,1-2H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250909
PNG
(CHEMBL4076254 | US10696655, Example 113 | US111680...)
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 7.40E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50178219
PNG
(CHEMBL3814752)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r|
Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant CECR2 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50178219
PNG
(CHEMBL3814752)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r|
Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250896
PNG
(CHEMBL4065346 | US10696655, Example 52 | US1116807...)
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 1.20E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250895
PNG
(CHEMBL4070185)
Show SMILES COc1cccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c12 |r|
Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-18-10-4-9-17(20(18)25-15)23(29)24-12-6-14-27-13-5-8-16-7-3-11-19(30-2)21(16)27/h3-4,7,9-11,15,25H,5-6,8,12-14H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50151663
PNG
(CHEMBL3774655)
Show SMILES CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C)C1)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250897
PNG
(CHEMBL4081585 | US10696655, Example 21 | US1116807...)
Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3ccc4sc(=O)n(C)c4c3)c2cc1C(F)F
Show InChI InChI=1S/C22H20F2N4OS/c1-26-12-14(11-25-26)16-8-13-4-3-7-28(18(13)10-17(16)21(23)24)15-5-6-20-19(9-15)27(2)22(29)30-20/h5-6,8-12,21H,3-4,7H2,1-2H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50344571
PNG
(1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFO...)
Show SMILES CNC(=O)Nc1cc(OC)cc(NC(=O)NS(=O)(=O)c2cc(C)c(CCOC)s2)n1
Show InChI InChI=1S/C17H23N5O6S2/c1-10-7-15(29-12(10)5-6-27-3)30(25,26)22-17(24)21-14-9-11(28-4)8-13(19-14)20-16(23)18-2/h7-9H,5-6H2,1-4H3,(H4,18,19,20,21,22,23,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250908
PNG
(CHEMBL4068063 | US10696655, Example 123 | US111680...)
Show SMILES CNC(=O)Nc1cc(OC)cc(n1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C22H24F2N6O2/c1-25-22(31)28-19-8-15(32-3)9-20(27-19)30-6-4-5-13-7-16(14-11-26-29(2)12-14)17(21(23)24)10-18(13)30/h7-12,21H,4-6H2,1-3H3,(H2,25,27,28,31)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250907
PNG
(CHEMBL4095016 | US10696655, Example 19 | US1116807...)
Show SMILES CN1C(=O)CCc2ccc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C24H24F2N4O/c1-28-14-17(13-27-28)19-10-16-4-3-9-30(22(16)12-20(19)24(25)26)18-7-5-15-6-8-23(31)29(2)21(15)11-18/h5,7,10-14,24H,3-4,6,8-9H2,1-2H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250905
PNG
(CHEMBL4097991 | US10696655, Example 17 | US1116807...)
Show SMILES CC(=O)N1CCc2c(C1)cc(N1CCCc3cc(-c4cnn(C)c4)c(cc13)C(F)F)c(=O)n2C
Show InChI InChI=1S/C25H27F2N5O2/c1-15(33)31-8-6-21-17(14-31)10-23(25(34)30(21)3)32-7-4-5-16-9-19(18-12-28-29(2)13-18)20(24(26)27)11-22(16)32/h9-13,24H,4-8,14H2,1-3H3
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250898
PNG
(CHEMBL4059634 | US10696655, Example 27 | US1116807...)
Show SMILES CNC(=O)c1ccc2nccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2c1
Show InChI InChI=1S/C25H23F2N5O/c1-28-25(33)16-5-6-21-20(11-16)22(7-8-29-21)32-9-3-4-15-10-18(17-13-30-31(2)14-17)19(24(26)27)12-23(15)32/h5-8,10-14,24H,3-4,9H2,1-2H3,(H,28,33)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250891
PNG
(CHEMBL4064118 | US11168070, Example 81)
Show SMILES C[C@H]1Nc2c(NC1=O)cccc2N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F |r|
Show InChI InChI=1S/C23H23F2N5O/c1-13-23(31)28-18-6-3-7-19(21(18)27-13)30-8-4-5-14-9-16(15-11-26-29(2)12-15)17(22(24)25)10-20(14)30/h3,6-7,9-13,22,27H,4-5,8H2,1-2H3,(H,28,31)/t13-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50250880
PNG
(CHEMBL4068116)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2N1 |r|
Show InChI InChI=1S/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-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Binding affinity to human BRD9 (R130 to V259) expressed in bacterial cells by BromoScan assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50250880
PNG
(CHEMBL4068116)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2N1 |r|
Show InChI InChI=1S/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-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant CECR2 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM55714
PNG
(3-[(3-carbethoxy-6-carbomethoxy-4-quinolyl)amino]b...)
Show SMILES CCOC(=O)c1cnc2ccc(cc2c1Nc1cccc(c1)C(O)=O)C(=O)OC
Show InChI InChI=1S/C21H18N2O6/c1-3-29-21(27)16-11-22-17-8-7-13(20(26)28-2)10-15(17)18(16)23-14-6-4-5-12(9-14)19(24)25/h4-11H,3H2,1-2H3,(H,22,23)(H,24,25)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250889
PNG
(CHEMBL4068984)
Show SMILES CNC(=O)c1cnn2ccc(nc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F
Show InChI InChI=1S/C22H21F2N7O/c1-25-22(32)17-11-27-31-7-5-19(28-21(17)31)30-6-3-4-13-8-15(14-10-26-29(2)12-14)16(20(23)24)9-18(13)30/h5,7-12,20H,3-4,6H2,1-2H3,(H,25,32)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250888
PNG
(CHEMBL4094232)
Show SMILES CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C)s3)ccc12
Show InChI InChI=1S/C15H16N2O3S2/c1-10-3-8-15(21-10)22(19,20)16-12-5-6-13-11(9-12)4-7-14(18)17(13)2/h3,5-6,8-9,16H,4,7H2,1-2H3
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n/an/a 2.30E+4n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250893
PNG
(CHEMBL3448459)
Show SMILES CNC(=O)c1cnn2c(ccnc12)C1CCCN1
Show InChI InChI=1S/C12H15N5O/c1-13-12(18)8-7-16-17-10(4-6-15-11(8)17)9-3-2-5-14-9/h4,6-7,9,14H,2-3,5H2,1H3,(H,13,18)
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n/an/a 3.20E+4n/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)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250887
PNG
(CHEMBL4077375)
Show SMILES CC(=O)N1CCc2c(C1)cc(-c1cccc(Cl)c1)c(=O)n2CC1CC1
Show InChI InChI=1S/C20H21ClN2O2/c1-13(24)22-8-7-19-16(12-22)10-18(15-3-2-4-17(21)9-15)20(25)23(19)11-14-5-6-14/h2-4,9-10,14H,5-8,11-12H2,1H3
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n/an/a 5.20E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
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