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Compile Data Set for Download or QSAR

Found 198 hits Enz. Inhib. hit(s) with Target = 'CBP'   
Target
(Institution)
LigandTarget
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
CBP


(Homo sapiens (human))
BDBM149985
PNG
(US8975417, 41)
Show SMILES CC(C)n1cc2C(N(C(=O)c2n1)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C21H21ClN4O2/c1-12(2)25-11-17-18(23-25)21(28)26(16-9-13(3)20(27)24(4)10-16)19(17)14-5-7-15(22)8-6-14/h5-12,19H,1-4H3
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US Patent
n/an/a 380n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150008
PNG
(US8975417, 64)
Show SMILES CC(C)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C22H23ClN4O2/c1-12(2)27-14(4)18-19(24-27)22(29)26(17-10-13(3)21(28)25(5)11-17)20(18)15-6-8-16(23)9-7-15/h6-12,20H,1-5H3
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n/an/a 400n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150009
PNG
(US8975417, 65)
Show SMILES CC(C)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1/C21H20Cl2N4O2/c1-11(2)27-12(3)17-18(24-27)21(29)26(15-9-16(23)20(28)25(4)10-15)19(17)13-5-7-14(22)8-6-13/h5-11,19H,1-4H3
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n/an/a 420n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149986
PNG
(US8975417, 42)
Show SMILES CC(C)n1cc2C(N(C(=O)c2n1)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H18Cl2N4O2/c1-11(2)25-10-15-17(23-25)20(28)26(14-8-16(22)19(27)24(3)9-14)18(15)12-4-6-13(21)7-5-12/h4-11,18H,1-3H3
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n/an/a 450n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149999
PNG
(US8975417, 55 | US8975417, 56)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1/C24H20Cl2N6O4/c1-12-18-19(29-32(12)17-10-27-24(36-4)28-21(17)35-3)23(34)31(15-9-16(26)22(33)30(2)11-15)20(18)13-5-7-14(25)8-6-13/h5-11,20H,1-4H3
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n/an/a 560n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149999
PNG
(US8975417, 55 | US8975417, 56)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1/C24H20Cl2N6O4/c1-12-18-19(29-32(12)17-10-27-24(36-4)28-21(17)35-3)23(34)31(15-9-16(26)22(33)30(2)11-15)20(18)13-5-7-14(25)8-6-13/h5-11,20H,1-4H3
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n/an/a 600n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150102
PNG
(US8975417, 170)
Show SMILES CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1F
Show InChI InChI=1/C21H20ClFN4O2/c1-5-26-19-17(12(3)24-26)18(15-7-6-13(22)9-16(15)23)27(21(19)29)14-8-11(2)20(28)25(4)10-14/h6-10,18H,5H2,1-4H3
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n/an/a 630n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150035
PNG
(US8975417, 94)
Show SMILES Cc1nn(C2CCC2)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C23H23ClN4O2/c1-13-11-18(12-26(3)22(13)29)27-20(15-7-9-16(24)10-8-15)19-14(2)25-28(17-5-4-6-17)21(19)23(27)30/h7-12,17,20H,4-6H2,1-3H3
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n/an/a 650n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149987
PNG
(US8975417, 43)
Show SMILES Cc1cc(cn(C)c1=O)N1C(c2c(nn(C3CC3)c2C(F)(F)F)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C22H18ClF3N4O2/c1-11-9-15(10-28(2)20(11)31)29-18(12-3-5-13(23)6-4-12)16-17(21(29)32)27-30(14-7-8-14)19(16)22(24,25)26/h3-6,9-10,14,18H,7-8H2,1-2H3
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n/an/a 660n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149984
PNG
(US8975417, 40)
Show SMILES Cn1cc(cc(Cl)c1=O)N1C(c2c(nn(C3CC3)c2C(F)(F)F)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C21H15Cl2F3N4O2/c1-28-9-13(8-14(23)19(28)31)29-17(10-2-4-11(22)5-3-10)15-16(20(29)32)27-30(12-6-7-12)18(15)21(24,25)26/h2-5,8-9,12,17H,6-7H2,1H3
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n/an/a 740n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM50430837
PNG
(CHEMBL2335154)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3/t18-/m0/s1
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n/an/a 771n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to CREBBP bromodomain (unknown origin) using H3K56Ac peptide by amplified luminescent proximity homogeneous assay


Citation and Details
More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150024
PNG
(US8975417, 81)
Show SMILES Cc1c2C(N(C(=O)c2nn1-c1cccnc1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C25H22ClN5O2/c1-14-12-19(13-29(4)24(14)32)30-23(17-7-9-18(26)10-8-17)21-16(3)31(28-22(21)25(30)33)20-6-5-11-27-15(20)2/h5-13,23H,1-4H3
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n/an/a 920n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150012
PNG
(US8975417, 68)
Show SMILES CCc1c2C(N(C(=O)c2nn1C1CC1)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C23H23ClN4O2/c1-4-18-19-20(25-28(18)16-9-10-16)23(30)27(17-11-13(2)22(29)26(3)12-17)21(19)14-5-7-15(24)8-6-14/h5-8,11-12,16,21H,4,9-10H2,1-3H3
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n/an/a 950n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149981
PNG
(US8975417, 37 | US8975417, 39)
Show SMILES Cn1cc(cc(Cl)c1=O)N1C(c2cn(nc2C1=O)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H16Cl2N4O2/c1-24-9-14(8-16(22)19(24)27)26-18(11-2-4-12(21)5-3-11)15-10-25(13-6-7-13)23-17(15)20(26)28/h2-5,8-10,13,18H,6-7H2,1H3
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n/an/a 960n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149964
PNG
(US8975417, 20)
Show SMILES Cc1c2C(N(C(=O)c2nn1C1CC1)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H21ClN4O2/c1-12-10-17(11-25(3)21(12)28)26-20(14-4-6-15(23)7-5-14)18-13(2)27(16-8-9-16)24-19(18)22(26)29/h4-7,10-11,16,20H,8-9H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM50430827
PNG
(CHEMBL2335147)
Show SMILES Cc1noc(C)c1-c1cc(O)cc(c1)[C@H](O)c1ccccc1
Show InChI InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3/t18-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to CREBBP bromodomain (unknown origin) using H3K56Ac peptide by amplified luminescent proximity homogeneous assay


Citation and Details
More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM50081125
PNG
(CHEMBL3421961)
Show SMILES Cc1cc(O)cc(C)c1C=C1C(=O)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C27H24N2O4/c1-18-13-22(30)14-19(2)23(18)15-24-25(31)28(16-20-9-5-3-6-10-20)27(33)29(26(24)32)17-21-11-7-4-8-12-21/h3-15,30H,16-17H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of recombinant CBP (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149981
PNG
(US8975417, 37 | US8975417, 39)
Show SMILES Cn1cc(cc(Cl)c1=O)N1C(c2cn(nc2C1=O)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H16Cl2N4O2/c1-24-9-14(8-16(22)19(24)27)26-18(11-2-4-12(21)5-3-11)15-10-25(13-6-7-13)23-17(15)20(26)28/h2-5,8-10,13,18H,6-7H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150044
PNG
(US8975417, 104)
Show SMILES CC(C)n1nc(C)c2[C@H](N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H23ClN4O2/c1-12(2)27-20-18(14(4)24-27)19(15-6-8-16(23)9-7-15)26(22(20)29)17-10-13(3)21(28)25(5)11-17/h6-12,19H,1-5H3/t19-/s2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150055
PNG
(US8975417, 115)
Show SMILES CCn1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C22H21ClN6O/c1-5-28-13(3)18-19(26-28)22(30)29(20(18)15-6-8-16(23)9-7-15)17-10-12(2)21-25-24-14(4)27(21)11-17/h6-11,20H,5H2,1-4H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149961
PNG
(US8975417, 17)
Show SMILES Cc1c2C(N(C(=O)c2nn1C1CC1)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C21H18Cl2N4O2/c1-11-17-18(24-27(11)14-7-8-14)21(29)26(15-9-16(23)20(28)25(2)10-15)19(17)12-3-5-13(22)6-4-12/h3-6,9-10,14,19H,7-8H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149993
PNG
(US8975417, 49)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C22H21ClN4O2/c1-12-10-17(11-25(3)21(12)28)26-19(14-4-6-15(23)7-5-14)18-13(2)24-27(16-8-9-16)20(18)22(26)29/h4-7,10-11,16,19H,8-9H2,1-3H3/t19-/s2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149995
PNG
(US8975417, 51)
Show SMILES Cc1nn(C2CC2)c2C(=O)N([C@@H](c12)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1/C21H18Cl2N4O2/c1-11-17-18(12-3-5-13(22)6-4-12)26(15-9-16(23)20(28)25(2)10-15)21(29)19(17)27(24-11)14-7-8-14/h3-6,9-10,14,18H,7-8H2,1-2H3/t18-/s2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150081
PNG
(US8975417, 141)
Show SMILES CN(C)C(=O)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C22H22ClN5O3/c1-12-10-16(11-26(5)20(12)29)27-19(14-6-8-15(23)9-7-14)17-13(2)28(22(31)25(3)4)24-18(17)21(27)30/h6-11,19H,1-5H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150103
PNG
(US8975417, 171)
Show SMILES CCn1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1F)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C21H20ClFN4O2/c1-5-26-12(3)17-18(24-26)21(29)27(14-8-11(2)20(28)25(4)10-14)19(17)15-7-6-13(22)9-16(15)23/h6-10,19H,5H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149991
PNG
(US8975417, 47)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(=O)N(C(c2c1C(F)(F)F)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1
Show InChI InChI=1/C24H17Cl2F3N6O4/c1-33-10-13(8-14(26)21(33)36)34-18(11-4-6-12(25)7-5-11)16-17(22(34)37)32-35(19(16)24(27,28)29)15-9-30-23(39-3)31-20(15)38-2/h4-10,18H,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150006
PNG
(US8975417, 62)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(=O)N([C@@H](c2c1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2onc(C)c2c1
Show InChI InChI=1/C29H27ClN6O4/c1-14(2)24-22-23(33-36(24)21-13-31-29(39-6)32-27(21)38-5)28(37)35(25(22)17-7-9-18(30)10-8-17)19-11-15(3)26-20(12-19)16(4)34-40-26/h7-14,25H,1-6H3/t25-/s2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149982
PNG
(US8975417, 38)
Show SMILES CC(C)n1ncc2C(N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H18Cl2N4O2/c1-11(2)26-18-15(9-23-26)17(12-4-6-13(21)7-5-12)25(20(18)28)14-8-16(22)19(27)24(3)10-14/h4-11,17H,1-3H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150020
PNG
(US8975417, 77)
Show SMILES COc1c2C(N(C(=O)c2nn1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H19ClN4O3/c1-11-9-14(10-23(2)18(11)26)25-17(12-5-7-13(21)8-6-12)15-16(19(25)27)22-24(3)20(15)28-4/h5-10,17H,1-4H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150017
PNG
(US8975417, 73)
Show SMILES Cc1cc(cn(C)c1=O)N1C(c2c(O)n(C)nc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C19H17ClN4O3/c1-10-8-13(9-22(2)17(10)25)24-16(11-4-6-12(20)7-5-11)14-15(19(24)27)21-23(3)18(14)26/h4-9,16,26H,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM50430828
PNG
(CHEMBL2335144)
Show SMILES COCCOc1cc(cc(c1)-c1c(C)noc1C)C(O)c1ccccc1
Show InChI InChI=1S/C21H23NO4/c1-14-20(15(2)26-22-14)17-11-18(13-19(12-17)25-10-9-24-3)21(23)16-7-5-4-6-8-16/h4-8,11-13,21,23H,9-10H2,1-3H3
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n/an/a 2.07E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to CREBBP bromodomain (unknown origin) using H3K56Ac peptide by amplified luminescent proximity homogeneous assay


Citation and Details
More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150112
PNG
(US8975417, 180)
Show SMILES CC(C)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1F
Show InChI InChI=1/C22H22ClFN4O2/c1-11(2)28-20-18(13(4)25-28)19(16-7-6-14(23)9-17(16)24)27(22(20)30)15-8-12(3)21(29)26(5)10-15/h6-11,19H,1-5H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM50430836
PNG
(CHEMBL2335153)
Show SMILES CC(=O)Oc1cc(cc(c1)-c1c(C)noc1C)C(O)c1ccccc1
Show InChI InChI=1S/C20H19NO4/c1-12-19(13(2)25-21-12)16-9-17(11-18(10-16)24-14(3)22)20(23)15-7-5-4-6-8-15/h4-11,20,23H,1-3H3
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n/an/a 2.48E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to CREBBP bromodomain (unknown origin) using H3K56Ac peptide by amplified luminescent proximity homogeneous assay


Citation and Details
More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150031
PNG
(US8975417, 89)
Show SMILES CCc1nn(-c2ccnn2C)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C24H23ClN6O2/c1-5-18-20-21(15-6-8-16(25)9-7-15)30(17-12-14(2)23(32)28(3)13-17)24(33)22(20)31(27-18)19-10-11-26-29(19)4/h6-13,21H,5H2,1-4H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150007
PNG
(US8975417, 63)
Show SMILES CC(C)n1nc(C)c2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H23ClN4O2/c1-12(2)27-20-18(14(4)24-27)19(15-6-8-16(23)9-7-15)26(22(20)29)17-10-13(3)21(28)25(5)11-17/h6-12,19H,1-5H3
PDB
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n/an/a 2.50E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150010
PNG
(US8975417, 66)
Show SMILES CC(C)n1nc(C)c2C(N(C(=O)c12)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C21H20Cl2N4O2/c1-11(2)27-19-17(12(3)24-27)18(13-5-7-14(22)8-6-13)26(21(19)29)15-9-16(23)20(28)25(4)10-15/h5-11,18H,1-4H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150101
PNG
(US8975417, 169)
Show SMILES CC(C)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1F)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C23H22ClFN6O/c1-11(2)31-13(4)19-20(28-31)23(32)30(21(19)17-7-6-15(24)9-18(17)25)16-8-12(3)22-27-26-14(5)29(22)10-16/h6-11,21H,1-5H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150011
PNG
(US8975417, 67)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C28H27ClN8O3/c1-14(2)23-21-22(34-37(23)20-12-30-28(40-6)31-26(20)39-5)27(38)36(24(21)17-7-9-18(29)10-8-17)19-11-15(3)25-33-32-16(4)35(25)13-19/h7-14,24H,1-6H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150128
PNG
(US8975417, 196)
Show SMILES Cc1[nH]nc2C(=O)N(C(c12)c1ccc(Cl)cc1F)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C19H16ClFN4O2/c1-9-6-12(8-24(3)18(9)26)25-17(13-5-4-11(20)7-14(13)21)15-10(2)22-23-16(15)19(25)27/h4-8,17H,1-3H3,(H,22,23)
PDB
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n/an/a 2.80E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM50430830
PNG
(CHEMBL2335145)
Show SMILES Cc1noc(C)c1-c1cc(OCCO)cc(c1)C(O)c1ccccc1
Show InChI InChI=1S/C20H21NO4/c1-13-19(14(2)25-21-13)16-10-17(12-18(11-16)24-9-8-22)20(23)15-6-4-3-5-7-15/h3-7,10-12,20,22-23H,8-9H2,1-2H3
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n/an/a 2.81E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to CREBBP bromodomain (unknown origin) using H3K56Ac peptide by amplified luminescent proximity homogeneous assay


Citation and Details
More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150019
PNG
(US8975417, 76)
Show SMILES CCOc1c2C(N(C(=O)c2nn1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C21H21ClN4O3/c1-5-29-21-16-17(23-25(21)4)20(28)26(15-10-12(2)19(27)24(3)11-15)18(16)13-6-8-14(22)9-7-13/h6-11,18H,5H2,1-4H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150021
PNG
(US8975417, 78)
Show SMILES CCc1nn(CCO)c2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C22H23ClN4O3/c1-4-17-18-19(14-5-7-15(23)8-6-14)27(16-11-13(2)21(29)25(3)12-16)22(30)20(18)26(24-17)9-10-28/h5-8,11-12,19,28H,4,9-10H2,1-3H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150034
PNG
(US8975417, 93)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C)n(nc2C1=O)C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C23H21ClN6O/c1-12-10-18(11-28-14(3)25-26-22(12)28)29-21(15-4-6-16(24)7-5-15)19-13(2)30(17-8-9-17)27-20(19)23(29)31/h4-7,10-11,17,21H,8-9H2,1-3H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150090
PNG
(US8975417, 152)
Show SMILES Cc1nnc2c(C)cc(cn12)N1C(c2c(C)n(nc2C1=O)C1CNC1)c1ccc(Cl)cc1
Show InChI InChI=1/C23H22ClN7O/c1-12-8-17(11-29-14(3)26-27-22(12)29)30-21(15-4-6-16(24)7-5-15)19-13(2)31(18-9-25-10-18)28-20(19)23(30)32/h4-8,11,18,21,25H,9-10H2,1-3H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149972
PNG
(US8975417, 28)
Show SMILES Cc1c2C(N(C(=O)c2nn1C)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H19ClN4O2/c1-11-9-15(10-23(3)19(11)26)25-18(13-5-7-14(21)8-6-13)16-12(2)24(4)22-17(16)20(25)27/h5-10,18H,1-4H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150096
PNG
(US8975417, 158)
Show SMILES CN1CC(C1)n1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1
Show InChI InChI=1/C24H24ClN7O/c1-13-9-18(12-30-15(3)26-27-23(13)30)31-22(16-5-7-17(25)8-6-16)20-14(2)32(19-10-29(4)11-19)28-21(20)24(31)33/h5-9,12,19,22H,10-11H2,1-4H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM50353588
PNG
(CHEMBL1828978)
Show SMILES CN1Cc2cc(ccc2NC1=O)-c1c(C)noc1C
Show InChI InChI=1S/C14H15N3O2/c1-8-13(9(2)19-16-8)10-4-5-12-11(6-10)7-17(3)14(18)15-12/h4-6H,7H2,1-3H3,(H,15,18)
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56Ac from human CREBBP by peptide displacement assay


Citation and Details
More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149950
PNG
(US8975417, 6)
Show SMILES Cc1c2C(N(C(=O)c2nn1C)c1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C19H16Cl2N4O2/c1-10-15-16(22-24(10)3)19(27)25(13-8-14(21)18(26)23(2)9-13)17(15)11-4-6-12(20)7-5-11/h4-9,17H,1-3H3
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US Patent
n/an/a 3.50E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM150038
PNG
(US8975417, 97)
Show SMILES Cc1nn(C2CC2)c2C(=O)N(C(c12)c1ccc(cc1)C(F)(F)F)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1/C23H21F3N4O2/c1-12-10-17(11-28(3)21(12)31)29-19(14-4-6-15(7-5-14)23(24,25)26)18-13(2)27-30(16-8-9-16)20(18)22(29)32/h4-7,10-11,16,19H,8-9H2,1-3H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
CBP


(Homo sapiens (human))
BDBM149980
PNG
(US8975417, 36)
Show SMILES CC(C)n1ncc2C(N(C(=O)c12)c1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1
Show InChI InChI=1/C21H21ClN4O2/c1-12(2)26-19-17(10-23-26)18(14-5-7-15(22)8-6-14)25(21(19)28)16-9-13(3)20(27)24(4)11-16/h5-12,18H,1-4H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


US Patent US8975417 (2015)

More data for this
Ligand-Target Pair
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