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Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'chekler' and Initial = 'elp'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257270
PNG
(CHEMBL4088158)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1Cl)C#N
Show InChI InChI=1S/C12H9ClN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257265
PNG
(CHEMBL4095364)
Show SMILES Cn1c(ccc1-c1c(F)cc(O)cc1F)C#N
Show InChI InChI=1S/C12H8F2N2O/c1-16-7(6-15)2-3-11(16)12-9(13)4-8(17)5-10(12)14/h2-5,17H,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257275
PNG
(CHEMBL4065842)
Show SMILES Cc1cc(ccc1O)-c1ccc(C#N)n1C
Show InChI InChI=1S/C13H12N2O/c1-9-7-10(3-6-13(9)16)12-5-4-11(8-14)15(12)2/h3-7,16H,1-2H3
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257272
PNG
(CHEMBL4095883)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1F)C#N
Show InChI InChI=1S/C12H9FN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257274
PNG
(CHEMBL4079377)
Show SMILES Cc1cc(O)ccc1-c1ccc(C#N)n1C
Show InChI InChI=1S/C13H12N2O/c1-9-7-11(16)4-5-12(9)13-6-3-10(8-14)15(13)2/h3-7,16H,1-2H3
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n/an/a 3.70n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257284
PNG
(CHEMBL4072730)
Show SMILES Cc1c(O)ccc(-c2ccc(C#N)n2C)c1C
Show InChI InChI=1S/C14H14N2O/c1-9-10(2)14(17)7-5-12(9)13-6-4-11(8-15)16(13)3/h4-7,17H,1-3H3
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n/an/a 4.90n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257276
PNG
(CHEMBL4087256)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1)C#N
Show InChI InChI=1S/C12H10N2O/c1-14-10(8-13)4-7-12(14)9-2-5-11(15)6-3-9/h2-7,15H,1H3
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n/an/a 6.30n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257315
PNG
(CHEMBL4066319)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1C#N)C#N
Show InChI InChI=1S/C13H9N3O/c1-16-10(8-15)2-5-13(16)12-4-3-11(17)6-9(12)7-14/h2-6,17H,1H3
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n/an/a 6.80n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257314
PNG
(CHEMBL4103641)
Show SMILES CCc1cc(ccc1O)-c1ccc(C#N)n1C
Show InChI InChI=1S/C14H14N2O/c1-3-10-8-11(4-7-14(10)17)13-6-5-12(9-15)16(13)2/h4-8,17H,3H2,1-2H3
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n/an/a 7.10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257313
PNG
(CHEMBL4061510)
Show SMILES Cn1c(ccc1-c1ccc(O)c2CCCc12)C#N
Show InChI InChI=1S/C15H14N2O/c1-17-10(9-16)5-7-14(17)12-6-8-15(18)13-4-2-3-11(12)13/h5-8,18H,2-4H2,1H3
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n/an/a 8.10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257319
PNG
(CHEMBL4088572)
Show SMILES Cn1c(cc(c1C#N)C(F)(F)F)-c1ccc(O)cc1
Show InChI InChI=1S/C13H9F3N2O/c1-18-11(8-2-4-9(19)5-3-8)6-10(12(18)7-17)13(14,15)16/h2-6,19H,1H3
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257269
PNG
(CHEMBL4073399)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1C(F)(F)F)C#N
Show InChI InChI=1S/C13H9F3N2O/c1-18-8(7-17)2-5-12(18)10-4-3-9(19)6-11(10)13(14,15)16/h2-6,19H,1H3
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257278
PNG
(CHEMBL4074555)
Show SMILES Cn1c(ccc1-c1c(Cl)cc(O)cc1Cl)C#N
Show InChI InChI=1S/C12H8Cl2N2O/c1-16-7(6-15)2-3-11(16)12-9(13)4-8(17)5-10(12)14/h2-5,17H,1H3
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n/an/a 29n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257264
PNG
(CHEMBL4069026)
Show SMILES Cn1c(ccc1-c1ccc(O)c(F)c1F)C#N
Show InChI InChI=1S/C12H8F2N2O/c1-16-7(6-15)2-4-9(16)8-3-5-10(17)12(14)11(8)13/h2-5,17H,1H3
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n/an/a 37n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257321
PNG
(CHEMBL4062016)
Show SMILES Cn1c(ccc1-c1ccc(O)c(Cl)c1)C#N
Show InChI InChI=1S/C12H9ClN2O/c1-15-9(7-14)3-4-11(15)8-2-5-12(16)10(13)6-8/h2-6,16H,1H3
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n/an/a 48n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257273
PNG
(CHEMBL4068562)
Show SMILES Cn1c(ccc1-c1ccc(O)c(F)c1)C#N
Show InChI InChI=1S/C12H9FN2O/c1-15-9(7-14)3-4-11(15)8-2-5-12(16)10(13)6-8/h2-6,16H,1H3
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n/an/a 59n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
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=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/a 64n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human CREBBP by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50257268
PNG
(CHEMBL4100251)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1[N+]([O-])=O)C#N
Show InChI InChI=1S/C12H9N3O3/c1-14-8(7-13)2-5-11(14)10-4-3-9(16)6-12(10)15(17)18/h2-6,16H,1H3
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n/an/a 65n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50257263
PNG
(CHEMBL4104046)
Show SMILES Cn1c(ccc1-c1c(F)cc(O)cc1C#N)C#N
Show InChI InChI=1S/C13H8FN3O/c1-17-9(7-16)2-3-12(17)13-8(6-15)4-10(18)5-11(13)14/h2-5,18H,1H3
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n/an/a 67n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238139
PNG
(CHEMBL4066064)
Show SMILES Cc1noc(C)c1-c1ccc2n(CCN3CCOCC3)c(nc2c1)[C@@H]1CCO[C@H]1c1ccccc1
Show InChI InChI=1S/C28H32N4O3/c1-19-26(20(2)35-30-19)22-8-9-25-24(18-22)29-28(32(25)12-11-31-13-16-33-17-14-31)23-10-15-34-27(23)21-6-4-3-5-7-21/h3-9,18,23,27H,10-17H2,1-2H3/t23-,27+/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257324
PNG
(CHEMBL4091403)
Show SMILES Cn1c(ccc1-c1cc(F)c(O)cc1F)C#N
Show InChI InChI=1S/C12H8F2N2O/c1-16-7(6-15)2-3-11(16)8-4-10(14)12(17)5-9(8)13/h2-5,17H,1H3
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n/an/a 86n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238135
PNG
(CHEMBL4074125)
Show SMILES Cc1noc(C)c1-c1ccc2n(CCN3CCOCC3)c(CCc3ccc(N)cc3)nc2c1
Show InChI InChI=1S/C26H31N5O2/c1-18-26(19(2)33-29-18)21-6-9-24-23(17-21)28-25(10-5-20-3-7-22(27)8-4-20)31(24)12-11-30-13-15-32-16-14-30/h3-4,6-9,17H,5,10-16,27H2,1-2H3
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n/an/a 90n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM188516
PNG
(BDOIA383)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C27H32N4O3/c1-19-27(20(2)34-29-19)22-7-10-25-24(18-22)28-26(11-6-21-4-8-23(32-3)9-5-21)31(25)13-12-30-14-16-33-17-15-30/h4-5,7-10,18H,6,11-17H2,1-3H3
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n/an/a 120n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257311
PNG
(CHEMBL4060340)
Show SMILES CCn1c(ccc1-c1ccc(O)cc1F)C#N
Show InChI InChI=1S/C13H11FN2O/c1-2-16-9(8-15)3-6-13(16)11-5-4-10(17)7-12(11)14/h3-7,17H,2H2,1H3
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n/an/a 127n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM188517
PNG
(PF-CBP1)
Show SMILES CCCOc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C29H36N4O3/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32/h5-6,8-11,20H,4,7,12-19H2,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238128
PNG
(CHEMBL4101368)
Show SMILES Cc1noc(C)c1-c1ccc2n(CCN3CCOCC3)c(nc2c1)-c1cnn2CCCc12
Show InChI InChI=1S/C24H28N6O2/c1-16-23(17(2)32-27-16)18-5-6-22-20(14-18)26-24(19-15-25-30-7-3-4-21(19)30)29(22)9-8-28-10-12-31-13-11-28/h5-6,14-15H,3-4,7-13H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238153
PNG
(CHEMBL4066476)
Show SMILES CCOc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C28H34N4O3/c1-4-34-24-9-5-22(6-10-24)7-12-27-29-25-19-23(28-20(2)30-35-21(28)3)8-11-26(25)32(27)14-13-31-15-17-33-18-16-31/h5-6,8-11,19H,4,7,12-18H2,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238138
PNG
(CHEMBL4093638)
Show SMILES Cc1noc(C)c1-c1ccc2n(CCN3CCOCC3)c(nc2c1)[C@H]1CCO[C@@H]1c1ccccc1
Show InChI InChI=1S/C28H32N4O3/c1-19-26(20(2)35-30-19)22-8-9-25-24(18-22)29-28(32(25)12-11-31-13-16-33-17-14-31)23-10-15-34-27(23)21-6-4-3-5-7-21/h3-9,18,23,27H,10-17H2,1-2H3/t23-,27+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238130
PNG
(CHEMBL4063290)
Show SMILES Cc1noc(C)c1-c1ccc2n(CCN3CCOCC3)c(CCc3ccc4ccccc4n3)nc2c1
Show InChI InChI=1S/C29H31N5O2/c1-20-29(21(2)36-32-20)23-8-11-27-26(19-23)31-28(34(27)14-13-33-15-17-35-18-16-33)12-10-24-9-7-22-5-3-4-6-25(22)30-24/h3-9,11,19H,10,12-18H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257310
PNG
(CHEMBL4073869)
Show SMILES Cn1c(cc(Br)c1-c1ccc(O)cc1)C#N
Show InChI InChI=1S/C12H9BrN2O/c1-15-9(7-14)6-11(13)12(15)8-2-4-10(16)5-3-8/h2-6,16H,1H3
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n/an/a 167n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238149
PNG
(CHEMBL4074405)
Show SMILES COc1ccc(CCc2cc3nc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C27H32N4O3/c1-19-27(20(2)34-29-19)24-10-11-26-25(28-24)18-22(7-4-21-5-8-23(32-3)9-6-21)31(26)13-12-30-14-16-33-17-15-30/h5-6,8-11,18H,4,7,12-17H2,1-3H3
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n/an/a 170n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238152
PNG
(CHEMBL4075074)
Show SMILES CC(C)Oc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C29H36N4O3/c1-20(2)35-25-9-5-23(6-10-25)7-12-28-30-26-19-24(29-21(3)31-36-22(29)4)8-11-27(26)33(28)14-13-32-15-17-34-18-16-32/h5-6,8-11,19-20H,7,12-18H2,1-4H3
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n/an/a 200n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238134
PNG
(CHEMBL4085966)
Show SMILES CC(=O)Nc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C28H33N5O3/c1-19-28(20(2)36-31-19)23-7-10-26-25(18-23)30-27(33(26)13-12-32-14-16-35-17-15-32)11-6-22-4-8-24(9-5-22)29-21(3)34/h4-5,7-10,18H,6,11-17H2,1-3H3,(H,29,34)
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n/an/a 200n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238260
PNG
(CHEMBL4094643)
Show SMILES CN(C)c1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C28H35N5O2/c1-20-28(21(2)35-30-20)23-8-11-26-25(19-23)29-27(33(26)14-13-32-15-17-34-18-16-32)12-7-22-5-9-24(10-6-22)31(3)4/h5-6,8-11,19H,7,12-18H2,1-4H3
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n/an/a 210n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238146
PNG
(CHEMBL4103593)
Show SMILES COc1cc(cccc1=O)-c1ccc2n(CCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C29H31N3O3/c1-34-28-21-23(8-5-9-27(28)33)24-11-12-26-25(20-24)30-29(13-10-22-6-3-2-4-7-22)32(26)15-14-31-16-18-35-19-17-31/h2-9,11-12,20-21H,10,13-19H2,1H3
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n/an/a 210n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50238259
PNG
(CHEMBL4096429)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)c(OC)c1
Show InChI InChI=1S/C28H34N4O4/c1-19-28(20(2)36-30-19)22-6-9-25-24(17-22)29-27(32(25)12-11-31-13-15-35-16-14-31)10-7-21-5-8-23(33-3)18-26(21)34-4/h5-6,8-9,17-18H,7,10-16H2,1-4H3
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n/an/a 240n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238262
PNG
(CHEMBL4094017)
Show SMILES Cc1noc(C)c1-c1ccc2n(CCN3CCOCC3)c(CCc3ccc(O)cc3)nc2c1
Show InChI InChI=1S/C26H30N4O3/c1-18-26(19(2)33-28-18)21-6-9-24-23(17-21)27-25(10-5-20-3-7-22(31)8-4-20)30(24)12-11-29-13-15-32-16-14-29/h3-4,6-9,17,31H,5,10-16H2,1-2H3
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n/an/a 240n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238255
PNG
(CHEMBL3753333)
Show SMILES Cc1noc(C)c1-c1ccc2n(CCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C26H30N4O2/c1-19-26(20(2)32-28-19)22-9-10-24-23(18-22)27-25(11-8-21-6-4-3-5-7-21)30(24)13-12-29-14-16-31-17-15-29/h3-7,9-10,18H,8,11-17H2,1-2H3
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n/an/a 240n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50238151
PNG
(CHEMBL4063726)
Show SMILES CCCCOc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C30H38N4O3/c1-4-5-18-36-26-10-6-24(7-11-26)8-13-29-31-27-21-25(30-22(2)32-37-23(30)3)9-12-28(27)34(29)15-14-33-16-19-35-20-17-33/h6-7,9-12,21H,4-5,8,13-20H2,1-3H3
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n/an/a 260n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238136
PNG
(CHEMBL4065507)
Show SMILES Cc1noc(C)c1-c1ccc2n(CCN3CCOCC3)c(CCc3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C27H29N5O2/c1-19-27(20(2)34-30-19)23-8-9-25-24(17-23)29-26(10-7-21-3-5-22(18-28)6-4-21)32(25)12-11-31-13-15-33-16-14-31/h3-6,8-9,17H,7,10-16H2,1-2H3
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Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238258
PNG
(CHEMBL4075476)
Show SMILES COc1cccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)c1
Show InChI InChI=1S/C27H32N4O3/c1-19-27(20(2)34-29-19)22-8-9-25-24(18-22)28-26(10-7-21-5-4-6-23(17-21)32-3)31(25)12-11-30-13-15-33-16-14-30/h4-6,8-9,17-18H,7,10-16H2,1-3H3
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Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238142
PNG
(CHEMBL4078019)
Show SMILES CCc1noc(C)c1-c1ccc2n(CCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C27H32N4O2/c1-3-23-27(20(2)33-29-23)22-10-11-25-24(19-22)28-26(12-9-21-7-5-4-6-8-21)31(25)14-13-30-15-17-32-18-16-30/h4-8,10-11,19H,3,9,12-18H2,1-2H3
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n/an/a 310n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238263
PNG
(CHEMBL4064489)
Show SMILES Cc1noc(C)c1-c1ccc2n(CCN3CCOCC3)c(CCc3ccccn3)nc2c1
Show InChI InChI=1S/C25H29N5O2/c1-18-25(19(2)32-28-18)20-6-8-23-22(17-20)27-24(9-7-21-5-3-4-10-26-21)30(23)12-11-29-13-15-31-16-14-29/h3-6,8,10,17H,7,9,11-16H2,1-2H3
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n/an/a 330n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50257267
PNG
(CHEMBL4087674)
Show SMILES COC(=O)c1cc(O)ccc1-c1ccc(C#N)n1C
Show InChI InChI=1S/C14H12N2O3/c1-16-9(8-15)3-6-13(16)11-5-4-10(17)7-12(11)14(18)19-2/h3-7,17H,1-2H3
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MMDB

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n/an/a 330n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...


J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50238146
PNG
(CHEMBL4103593)
Show SMILES COc1cc(cccc1=O)-c1ccc2n(CCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C29H31N3O3/c1-34-28-21-23(8-5-9-27(28)33)24-11-12-26-25(20-24)30-29(13-10-22-6-3-2-4-7-22)32(26)15-14-31-16-18-35-19-17-31/h2-9,11-12,20-21H,10,13-19H2,1H3
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n/an/a 350n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by fluorescence polarization assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50238261
PNG
(CHEMBL4074676)
Show SMILES Cc1noc(C)c1-c1ccc2n(CC(=O)N3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C26H28N4O3/c1-18-26(19(2)33-28-18)21-9-10-23-22(16-21)27-24(11-8-20-6-4-3-5-7-20)30(23)17-25(31)29-12-14-32-15-13-29/h3-7,9-10,16H,8,11-15,17H2,1-2H3
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n/an/a 360n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238131
PNG
(CHEMBL4077279)
Show SMILES Cc1noc(C)c1-c1ccc2n(CCN3CCOCC3)c(CCc3ccncc3)nc2c1
Show InChI InChI=1S/C25H29N5O2/c1-18-25(19(2)32-28-18)21-4-5-23-22(17-21)27-24(6-3-20-7-9-26-10-8-20)30(23)12-11-29-13-15-31-16-14-29/h4-5,7-10,17H,3,6,11-16H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238254
PNG
(CHEMBL4104158)
Show SMILES Cc1noc(C)c1-c1ccc2n(CCN3CCOCC3)c(COc3ccccc3)nc2c1
Show InChI InChI=1S/C25H28N4O3/c1-18-25(19(2)32-27-18)20-8-9-23-22(16-20)26-24(17-31-21-6-4-3-5-7-21)29(23)11-10-28-12-14-30-15-13-28/h3-9,16H,10-15,17H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238140
PNG
(CHEMBL4085900)
Show SMILES Cc1noc(C)c1-c1ccc2n3[C@H](CN4CCOCC4)C[C@H](Cc4ccccc4)c3nc2c1
Show InChI InChI=1S/C27H30N4O2/c1-18-26(19(2)33-29-18)21-8-9-25-24(16-21)28-27-22(14-20-6-4-3-5-7-20)15-23(31(25)27)17-30-10-12-32-13-11-30/h3-9,16,22-23H,10-15,17H2,1-2H3/t22-,23-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50238256
PNG
(CHEMBL4078384)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1OC
Show InChI InChI=1S/C28H34N4O4/c1-19-28(20(2)36-30-19)22-7-8-24-23(18-22)29-27(32(24)12-11-31-13-15-35-16-14-31)10-6-21-5-9-25(33-3)26(17-21)34-4/h5,7-9,17-18H,6,10-16H2,1-4H3
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n/an/a 470n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CREBBP (unknown origin) by FRET assay


J Med Chem 60: 5349-5363 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF
More data for this
Ligand-Target Pair
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