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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with Target = 'CREB-binding protein/p53' AND taxid = 9606   
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
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53-Ser15 phosphorylation in human HCT116 cells after 24 hrs


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50025671
PNG
(CHEMBL583413)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)ccc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1/C26H20Br2N4O/c1-15-3-12-21-20(13-15)24-22(25(33-21)17-6-10-19(28)11-7-17)23(16-4-8-18(27)9-5-16)32-26(31(24)2)29-14-30-32/h3-14,23,25H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53-Ser15 phosphorylation in human HCT116 cells after 24 hrs


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50025671
PNG
(CHEMBL583413)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)ccc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1/C26H20Br2N4O/c1-15-3-12-21-20(13-15)24-22(25(33-21)17-6-10-19(28)11-7-17)23(16-4-8-18(27)9-5-16)32-26(31(24)2)29-14-30-32/h3-14,23,25H,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50299820
PNG
((+/-)-syn-6,7-Bis(4-bromophenyl)-1-ethoxy-12-methy...)
Show SMILES CCOc1cccc2OC(C3=C(N(C)c4ncnn4C3c3ccc(Br)cc3)c12)c1ccc(Br)cc1
Show InChI InChI=1S/C27H22Br2N4O2/c1-3-34-20-5-4-6-21-22(20)25-23(26(35-21)17-9-13-19(29)14-10-17)24(16-7-11-18(28)12-8-16)33-27(32(25)2)30-15-31-33/h4-15,24,26H,3H2,1-2H3
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n/an/a 6.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50299822
PNG
((+/-)-syn-6,7-Bis(4-chlorophenyl)-12-methyl-7,12-d...)
Show SMILES CN1c2ncnn2C(C2=C1c1ccccc1OC2c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H18Cl2N4O/c1-30-23-19-4-2-3-5-20(19)32-24(16-8-12-18(27)13-9-16)21(23)22(31-25(30)28-14-29-31)15-6-10-17(26)11-7-15/h2-14,22,24H,1H3
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n/an/a 9.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50299818
PNG
((+/-)-syn-6,7-Bis(4-bromophenyl)-3-fluoro-2,12-dim...)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)c(F)cc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C26H19Br2FN4O/c1-14-11-19-21(12-20(14)29)34-25(16-5-9-18(28)10-6-16)22-23(15-3-7-17(27)8-4-15)33-26(30-13-31-33)32(2)24(19)22/h3-13,23,25H,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50299821
PNG
((+/-)-syn-7-(4-Bromophenyl)-6-(4-chlorophenyl)-12-...)
Show SMILES CN1c2ncnn2C(C2=C1c1ccccc1OC2c1ccc(Cl)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H18BrClN4O/c1-30-23-19-4-2-3-5-20(19)32-24(16-8-12-18(27)13-9-16)21(23)22(31-25(30)28-14-29-31)15-6-10-17(26)11-7-15/h2-14,22,24H,1H3
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50299819
PNG
((+/-)-syn-6,7-Bis(4-bromophenyl)-2-fluoro-12-methy...)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(F)ccc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H17Br2FN4O/c1-31-23-19-12-18(28)10-11-20(19)33-24(15-4-8-17(27)9-5-15)21(23)22(32-25(31)29-13-30-32)14-2-6-16(26)7-3-14/h2-13,22,24H,1H3
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n/an/a 44n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50388626
PNG
(CHEMBL2059435 | US9296736, 152)
Show SMILES CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29Cl2NO4/c1-4-21(15(2)29)28-23(16-8-10-18(26)11-9-16)20(17-6-5-7-19(27)12-17)13-25(3,24(28)32)14-22(30)31/h5-12,15,20-21,23,29H,4,13-14H2,1-3H3,(H,30,31)/t15-,20+,21-,23+,25+/m0/s1
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n/an/a 760n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at p53 in human SJSA1 cells assessed as induction of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50397771
PNG
(CHEMBL2059300)
Show SMILES CC[C@H](N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H33Cl2NO5/c1-6-22(25(34)36-27(2,3)4)31-24(17-10-12-19(29)13-11-17)21(18-8-7-9-20(30)14-18)15-28(5,26(31)35)16-23(32)33/h7-14,21-22,24H,6,15-16H2,1-5H3,(H,32,33)/t21-,22+,24-,28-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at p53 in human HCT116 cells expressing wild type p53 assessed as induction of p21 mRNA expression after 7 hrs by RT-PCR analysis


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50397772
PNG
(CHEMBL2177191 | US9296736, 185)
Show SMILES CC[C@@H](CO)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27Cl2NO4/c1-3-19(14-28)27-22(15-7-9-17(25)10-8-15)20(16-5-4-6-18(26)11-16)12-24(2,23(27)31)13-21(29)30/h4-11,19-20,22,28H,3,12-14H2,1-2H3,(H,29,30)/t19-,20+,22+,24+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at p53 in human SJSA1 cells assessed as induction of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50397774
PNG
(CHEMBL2177189 | US9296736, 128)
Show SMILES CC[C@H](N1[C@@H]([C@H](C[C@](C)(Cc2nnn[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H33Cl2N5O3/c1-6-22(25(36)38-27(2,3)4)35-24(17-10-12-19(29)13-11-17)21(18-8-7-9-20(30)14-18)15-28(5,26(35)37)16-23-31-33-34-32-23/h7-14,21-22,24H,6,15-16H2,1-5H3,(H,31,32,33,34)/t21-,22+,24-,28-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at p53 in human SJSA1 cells assessed as induction of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50397771
PNG
(CHEMBL2059300)
Show SMILES CC[C@H](N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H33Cl2NO5/c1-6-22(25(34)36-27(2,3)4)31-24(17-10-12-19(29)13-11-17)21(18-8-7-9-20(30)14-18)15-28(5,26(31)35)16-23(32)33/h7-14,21-22,24H,6,15-16H2,1-5H3,(H,32,33)/t21-,22+,24-,28-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at p53 in human SJSA1 cells assessed as induction of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50397775
PNG
(CHEMBL2177188)
Show SMILES CC[C@H](N1[C@@H]([C@H](C[C@H](Cc2nnn[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H31Cl2N5O3/c1-5-22(26(36)37-27(2,3)4)34-24(16-9-11-19(28)12-10-16)21(17-7-6-8-20(29)13-17)14-18(25(34)35)15-23-30-32-33-31-23/h6-13,18,21-22,24H,5,14-15H2,1-4H3,(H,30,31,32,33)/t18-,21-,22+,24-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at p53 in human SJSA1 cells assessed as induction of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50397776
PNG
(CHEMBL2177187)
Show SMILES CC[C@H](N1[C@@H]([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H31Cl2NO5/c1-5-22(26(34)35-27(2,3)4)30-24(16-9-11-19(28)12-10-16)21(17-7-6-8-20(29)13-17)14-18(25(30)33)15-23(31)32/h6-13,18,21-22,24H,5,14-15H2,1-4H3,(H,31,32)/t18-,21-,22+,24-/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at p53 in human SJSA1 cells assessed as induction of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50397773
PNG
(CHEMBL2177190)
Show SMILES CCC(CC)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29Cl2NO3/c1-4-20(5-2)28-23(16-9-11-18(26)12-10-16)21(17-7-6-8-19(27)13-17)14-25(3,24(28)31)15-22(29)30/h6-13,20-21,23H,4-5,14-15H2,1-3H3,(H,29,30)/t21-,23-,25-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at p53 in human SJSA1 cells assessed as induction of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50080451
PNG
(CHEMBL3422267)
Show SMILES CCCCC[C@H](O[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O
Show InChI InChI=1/C26H30O12/c1-2-3-4-5-16(37-26-24(36)23(35)25(38-26)15(31)9-27)19-14(30)8-12-18(22(19)34)21(33)17-11(20(12)32)6-10(28)7-13(17)29/h6-8,15-16,23-31,34-36H,2-5,9H2,1H3/t15-,16+,23-,24-,25+,26-/s2
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n/an/a 6.20E+3n/an/an/an/an/an/a



Institute of Microbial Chemistry (BIKAKEN)

Curated by ChEMBL


Assay Description
Induction of p53-dependent growth suppression of human LNZTA3 cells after 72 hrs by MTT assay


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50080457
PNG
(CHEMBL3422268)
Show SMILES CCCCC[C@H](O[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1OC(C)=O)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O
Show InChI InChI=1/C28H32O13/c1-3-4-5-6-18(40-28-27(39-11(2)30)25(38)26(41-28)17(34)10-29)21-16(33)9-14-20(24(21)37)23(36)19-13(22(14)35)7-12(31)8-15(19)32/h7-9,17-18,25-29,31-34,37-38H,3-6,10H2,1-2H3/t17-,18+,25+,26+,27-,28-/s2
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n/an/a 6.20E+3n/an/an/an/an/an/a



Institute of Microbial Chemistry (BIKAKEN)

Curated by ChEMBL


Assay Description
Induction of p53-dependent growth suppression of human LNZTA3 cells after 72 hrs by MTT assay


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at p53 in human SJSA1 cells assessed as induction of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50436459
PNG
(CHEMBL2396661)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of p53 (unknown origin) phosphorylation at Ser15 by cell-based assay


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50397777
PNG
(CHEMBL2177186)
Show SMILES CCOC(=O)[C@H](CC)N1[C@@H]([C@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27Cl2NO5/c1-3-21(25(32)33-4-2)28-23(15-8-10-18(26)11-9-15)20(16-6-5-7-19(27)12-16)13-17(24(28)31)14-22(29)30/h5-12,17,20-21,23H,3-4,13-14H2,1-2H3,(H,29,30)/t17-,20-,21+,23-/m1/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at p53 in human SJSA1 cells assessed as induction of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum


Citation and Details
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50397778
PNG
(CHEMBL2177813)
Show SMILES OC(=O)C[C@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22-/m1/s1
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n/an/a 3.44E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at p53 in human SJSA1 cells assessed as induction of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum


Citation and Details
More data for this
Ligand-Target Pair