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Compile Data Set for Download or QSAR

Found 252 hits with Last Name = 'kuroha' and Initial = 'm'   
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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314948
PNG
((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccc2ccccc12 |r,t:9|
Show InChI InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,22,32H,13H2,1-3H3,(H,29,34)/t22?,28-/m1/s1
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82n/an/an/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma


Bioorg Med Chem Lett 20: 2095-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.073
BindingDB Entry DOI: 10.7270/Q2RX9D21
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50600305
PNG
(CHEMBL5193672)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C-like 1


(Candida albicans)
BDBM50256734
PNG
((-)-Cercosporamide | CHEMBL475816)
Show SMILES CC(=O)C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O |r,t:6|
Show InChI InChI=1S/C16H13NO7/c1-5(18)10-7(20)4-9-16(2,14(10)22)12-8(21)3-6(19)11(15(17)23)13(12)24-9/h3-4,10,19,21H,1-2H3,(H2,17,23)/t10?,16-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans Pkc1 expressed in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 724-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.035
BindingDB Entry DOI: 10.7270/Q2H41R95
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600302
PNG
(CHEMBL5193437)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600297
PNG
(CHEMBL5174606)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600297
PNG
(CHEMBL5174606)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600296
PNG
(CHEMBL5177811)
Show SMILES COc1ccc(cc1)C1(CCCCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600305
PNG
(CHEMBL5193672)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600300
PNG
(CHEMBL5184238)
Show SMILES COc1ccc(cc1)C1(CCCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600301
PNG
(CHEMBL5178312)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600298
PNG
(CHEMBL5187549)
Show SMILES COc1ccc(cc1)C1(CCCCC1)C(=O)N(C)CC(=O)Nc1cccc2[nH]ncc12
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600299
PNG
(CHEMBL5191305)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N(C)[C@H](C)C(=O)Nc1cccc2[nH]ncc12 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600304
PNG
(CHEMBL5207535)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50256734
PNG
((-)-Cercosporamide | CHEMBL475816)
Show SMILES CC(=O)C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O |r,t:6|
Show InChI InChI=1S/C16H13NO7/c1-5(18)10-7(20)4-9-16(2,14(10)22)12-8(21)3-6(19)11(15(17)23)13(12)24-9/h3-4,10,19,21H,1-2H3,(H2,17,23)/t10?,16-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PKCbeta by scintillation proximity assay


Bioorg Med Chem Lett 19: 724-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.035
BindingDB Entry DOI: 10.7270/Q2H41R95
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600297
PNG
(CHEMBL5174606)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600297
PNG
(CHEMBL5174606)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600300
PNG
(CHEMBL5184238)
Show SMILES COc1ccc(cc1)C1(CCCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600305
PNG
(CHEMBL5193672)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
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n/an/a 450n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600302
PNG
(CHEMBL5193437)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
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n/an/a 460n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600295
PNG
(CHEMBL5209027)
Show SMILES COc1ccc(cc1)C1(CCOCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1
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n/an/a 610n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600296
PNG
(CHEMBL5177811)
Show SMILES COc1ccc(cc1)C1(CCCCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1
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n/an/a 610n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314948
PNG
((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccc2ccccc12 |r,t:9|
Show InChI InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,22,32H,13H2,1-3H3,(H,29,34)/t22?,28-/m1/s1
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n/an/a 620n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PPARgamma assessed as transcriptional activity


Bioorg Med Chem Lett 20: 2095-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.073
BindingDB Entry DOI: 10.7270/Q2RX9D21
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600301
PNG
(CHEMBL5178312)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
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n/an/a 690n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600303
PNG
(CHEMBL5180471)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600298
PNG
(CHEMBL5187549)
Show SMILES COc1ccc(cc1)C1(CCCCC1)C(=O)N(C)CC(=O)Nc1cccc2[nH]ncc12
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n/an/a 1.01E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50256734
PNG
((-)-Cercosporamide | CHEMBL475816)
Show SMILES CC(=O)C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O |r,t:6|
Show InChI InChI=1S/C16H13NO7/c1-5(18)10-7(20)4-9-16(2,14(10)22)12-8(21)3-6(19)11(15(17)23)13(12)24-9/h3-4,10,19,21H,1-2H3,(H2,17,23)/t10?,16-/m1/s1
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n/an/a 1.02E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha by scintillation proximity assay


Bioorg Med Chem Lett 19: 724-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.035
BindingDB Entry DOI: 10.7270/Q2H41R95
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600304
PNG
(CHEMBL5207535)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
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n/an/a 1.03E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50579801
PNG
(CHEMBL5088992)
Show SMILES COC1=C(Cc2ccc(s2)-c2cn(Cc3ccccc3)cc(C(O)=O)c2=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CBP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128358
BindingDB Entry DOI: 10.7270/Q23R0XQQ
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600303
PNG
(CHEMBL5180471)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc2[nH]ncc12 |r|
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n/an/a 1.45E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600295
PNG
(CHEMBL5209027)
Show SMILES COc1ccc(cc1)C1(CCOCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1
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n/an/a 2.24E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50579797
PNG
(CHEMBL5071269)
Show SMILES COC1=C(Cc2ccc(s2)-c2cncc(c2)C(O)=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|
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n/an/a 2.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EP300 (unknown origin) by AlphaLISA immunodetection assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128358
BindingDB Entry DOI: 10.7270/Q23R0XQQ
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50579796
PNG
(CHEMBL5087034)
Show SMILES COC1=C(Cc2ccc(s2)-c2cccc(c2)C(O)=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|
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n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EP300 (unknown origin) by AlphaLISA immunodetection assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128358
BindingDB Entry DOI: 10.7270/Q23R0XQQ
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50579798
PNG
(CHEMBL5080324)
Show SMILES COC1=C(Cc2ccc(s2)-c2cn(C)cc(C(O)=O)c2=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CBP (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128358
BindingDB Entry DOI: 10.7270/Q23R0XQQ
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50579801
PNG
(CHEMBL5088992)
Show SMILES COC1=C(Cc2ccc(s2)-c2cn(Cc3ccccc3)cc(C(O)=O)c2=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|
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n/an/a 4.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EP300 (unknown origin) by AlphaLISA immunodetection assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128358
BindingDB Entry DOI: 10.7270/Q23R0XQQ
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600299
PNG
(CHEMBL5191305)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N(C)[C@H](C)C(=O)Nc1cccc2[nH]ncc12 |r|
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n/an/a 5.02E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Protein kinase C gamma type


(Homo sapiens (Human))
BDBM50256734
PNG
((-)-Cercosporamide | CHEMBL475816)
Show SMILES CC(=O)C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O |r,t:6|
Show InChI InChI=1S/C16H13NO7/c1-5(18)10-7(20)4-9-16(2,14(10)22)12-8(21)3-6(19)11(15(17)23)13(12)24-9/h3-4,10,19,21H,1-2H3,(H2,17,23)/t10?,16-/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PKCgamma by scintillation proximity assay


Bioorg Med Chem Lett 19: 724-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.035
BindingDB Entry DOI: 10.7270/Q2H41R95
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT7


(Homo sapiens)
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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n/an/a 7.81E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50579799
PNG
(CHEMBL5093074)
Show SMILES CCn1cc(C(O)=O)c(=O)c(c1)-c1ccc(CC2=C(CN(C2=O)c2ccc3ccccc3c2)OC)s1 |t:18|
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n/an/a 9.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EP300 (unknown origin) by AlphaLISA immunodetection assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128358
BindingDB Entry DOI: 10.7270/Q23R0XQQ
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50579798
PNG
(CHEMBL5080324)
Show SMILES COC1=C(Cc2ccc(s2)-c2cn(C)cc(C(O)=O)c2=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|
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n/an/a 1.06E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EP300 (unknown origin) by AlphaLISA immunodetection assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128358
BindingDB Entry DOI: 10.7270/Q23R0XQQ
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50579800
PNG
(CHEMBL5083461)
Show SMILES COC1=C(Cc2ccc(s2)-c2cn(cc(C(O)=O)c2=O)C(C)C)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|
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n/an/a 1.18E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EP300 (unknown origin) by AlphaLISA immunodetection assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128358
BindingDB Entry DOI: 10.7270/Q23R0XQQ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314950
PNG
((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1ccco1 |r,t:9|
Show InChI InChI=1S/C22H19NO8/c1-10(24)16-12(25)8-15-22(2,20(16)27)18-13(26)7-14(29-3)17(19(18)31-15)21(28)23-9-11-5-4-6-30-11/h4-8,16,26H,9H2,1-3H3,(H,23,28)/t16?,22-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PPARgamma assessed as transcriptional activity


Bioorg Med Chem Lett 20: 2095-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.073
BindingDB Entry DOI: 10.7270/Q2RX9D21
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50579794
PNG
(CHEMBL5086865)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(CN2CCN(C2=O)c2ccc3ccccc3c2)o1
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n/an/a 1.84E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EP300 (unknown origin) by AlphaLISA immunodetection assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128358
BindingDB Entry DOI: 10.7270/Q23R0XQQ
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50579795
PNG
(CHEMBL5089215)
Show SMILES Cc1ccc(cc1C)N1CCN(Cc2ccc(s2)-c2cccc(c2)C(O)=O)C1=O
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n/an/a 1.89E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EP300 (unknown origin) by AlphaLISA immunodetection assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128358
BindingDB Entry DOI: 10.7270/Q23R0XQQ
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT6B


(Homo sapiens)
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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n/an/a 2.10E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50600297
PNG
(CHEMBL5174606)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1
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n/an/a>2.50E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50579792
PNG
(CHEMBL5086573)
Show SMILES COC1=C(Cc2ccc(o2)-c2cccc(c2)C(O)=O)C(=O)N(C1)c1ccc(C)c(C)c1 |c:2|
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n/an/a 3.51E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EP300 (unknown origin) by AlphaLISA immunodetection assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128358
BindingDB Entry DOI: 10.7270/Q23R0XQQ
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50579793
PNG
(CHEMBL5074998)
Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O)c1cccc(Cl)c1 |t:1|
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n/an/a 3.54E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EP300 (unknown origin) by AlphaLISA immunodetection assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128358
BindingDB Entry DOI: 10.7270/Q23R0XQQ
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT5


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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n/an/a 3.72E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50579791
PNG
(CHEMBL5069865)
Show SMILES CC1CN(C(=O)N1Cc1ccc(o1)-c1cccc(c1)C(O)=O)c1ccc(C)c(C)c1
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n/an/a 3.73E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EP300 (unknown origin) by AlphaLISA immunodetection assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128358
BindingDB Entry DOI: 10.7270/Q23R0XQQ
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50346552
PNG
(CHEMBL1797936)
Show SMILES Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|
Show InChI InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12,25H,3H2,1-2H3,(H,29,30)
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n/an/a 3.89E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128726
BindingDB Entry DOI: 10.7270/Q27W6H8T
More data for this
Ligand-Target Pair
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