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PubMed code 27673482

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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/Histone acetyltransferase p300


(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/an/a 151n/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Binding affinity to human CBP/P300 expressed in Escherichia coli BL21(DE3)-R3 by isothermal titration calorimetry

J Med Chem 59: 8889-8912 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00774
BindingDB Entry DOI: 10.7270/Q2736SVT
More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))		BDBM50198751
PNG
(CHEMBL3927642)
Show SMILES CCC(=O)N1CCOc2c(C1)cc(cc2C(=O)N[C@H]1CCCN(C)C1)-c1cc(OC)cc(OC)c1 |r|
Show InChI InChI=1S/C27H35N3O5/c1-5-25(31)30-9-10-35-26-20(16-30)11-18(19-12-22(33-3)15-23(13-19)34-4)14-24(26)27(32)28-21-7-6-8-29(2)17-21/h11-15,21H,5-10,16-17H2,1-4H3,(H,28,32)/t21-/m0/s1
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n/an/an/a 134n/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Binding affinity to human CBP/P300 expressed in Escherichia coli BL21(DE3)-R3 by isothermal titration calorimetry

J Med Chem 59: 8889-8912 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00774
BindingDB Entry DOI: 10.7270/Q2736SVT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))		BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/a 21n/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal His10-tagged/C-terminal Biotin-tagged CBP (R1081 to G1198 residues)/P300 expressed in Escherichia coli BL21(DE3)...

J Med Chem 59: 8889-8912 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00774
BindingDB Entry DOI: 10.7270/Q2736SVT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50198751
PNG
(CHEMBL3927642)
Show SMILES CCC(=O)N1CCOc2c(C1)cc(cc2C(=O)N[C@H]1CCCN(C)C1)-c1cc(OC)cc(OC)c1 |r|
Show InChI InChI=1S/C27H35N3O5/c1-5-25(31)30-9-10-35-26-20(16-30)11-18(19-12-22(33-3)15-23(13-19)34-4)14-24(26)27(32)28-21-7-6-8-29(2)17-21/h11-15,21H,5-10,16-17H2,1-4H3,(H,28,32)/t21-/m0/s1
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n/an/an/a 5.02E+3n/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Binding affinity to human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by isothermal titration calorimetry

J Med Chem 59: 8889-8912 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00774
BindingDB Entry DOI: 10.7270/Q2736SVT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%