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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'akhtar' and Initial = 'w'   
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
Prostanoid IP receptor


(Homo sapiens (human))
BDBM50095203
PNG
(CHEMBL94751 | [(S)-6-(3-Benzhydryl-6-oxo-6H-pyrida...)
Show SMILES OC(=O)COc1cccc2C[C@@H](Cn3nc(ccc3=O)C(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C30H28N2O4/c33-28-17-16-26(30(22-8-3-1-4-9-22)23-10-5-2-6-11-23)31-32(28)19-21-14-15-25-24(18-21)12-7-13-27(25)36-20-29(34)35/h1-13,16-17,21,30H,14-15,18-20H2,(H,34,35)/t21-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Agonist activity at PGI2 in human platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation


Eur J Med Chem 123: 256-281 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.061
BindingDB Entry DOI: 10.7270/Q2Q81G2Z
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens)
BDBM50078633
PNG
(CHEMBL3415187)
Show SMILES Cn1cc(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C19H17N7/c1-24-10-15(8-22-24)11-26-13-21-18(17-9-23-25(2)12-17)19(26)16-5-3-14(7-20)4-6-16/h3-6,8-10,12-13H,11H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens)
BDBM50078633
PNG
(CHEMBL3415187)
Show SMILES Cn1cc(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C19H17N7/c1-24-10-15(8-22-24)11-26-13-21-18(17-9-23-25(2)12-17)19(26)16-5-3-14(7-20)4-6-16/h3-6,8-10,12-13H,11H2,1-2H3
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens)
BDBM50078635
PNG
(CHEMBL3415185)
Show SMILES Cc1cn(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)c(F)c2)nn1
Show InChI InChI=1S/C18H15FN8/c1-12-8-27(24-23-12)11-26-10-21-17(15-7-22-25(2)9-15)18(26)13-3-4-14(6-20)16(19)5-13/h3-5,7-10H,11H2,1-2H3
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens)
BDBM50078638
PNG
(CHEMBL3415182)
Show SMILES Cc1cn(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)C#N)nn1
Show InChI InChI=1S/C19H18N8/c1-14-11-27(24-23-14)8-7-26-13-21-18(17-10-22-25(2)12-17)19(26)16-5-3-15(9-20)4-6-16/h3-6,10-13H,7-8H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens)
BDBM50078636
PNG
(CHEMBL3415184)
Show SMILES Cc1cn(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2F)C#N)nn1
Show InChI InChI=1S/C18H15FN8/c1-12-8-27(24-23-12)11-26-10-21-17(14-7-22-25(2)9-14)18(26)15-4-3-13(6-20)5-16(15)19/h3-5,7-10H,11H2,1-2H3
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n/an/a 770n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens)
BDBM50078635
PNG
(CHEMBL3415185)
Show SMILES Cc1cn(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)c(F)c2)nn1
Show InChI InChI=1S/C18H15FN8/c1-12-8-27(24-23-12)11-26-10-21-17(15-7-22-25(2)9-15)18(26)13-3-4-14(6-20)16(19)5-13/h3-5,7-10H,11H2,1-2H3
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n/an/a 790n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens)
BDBM50078636
PNG
(CHEMBL3415184)
Show SMILES Cc1cn(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2F)C#N)nn1
Show InChI InChI=1S/C18H15FN8/c1-12-8-27(24-23-12)11-26-10-21-17(14-7-22-25(2)9-14)18(26)15-4-3-13(6-20)5-16(15)19/h3-5,7-10H,11H2,1-2H3
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n/an/a 1.01E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens)
BDBM50078638
PNG
(CHEMBL3415182)
Show SMILES Cc1cn(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)C#N)nn1
Show InChI InChI=1S/C19H18N8/c1-14-11-27(24-23-14)8-7-26-13-21-18(17-10-22-25(2)12-17)19(26)16-5-3-15(9-20)4-6-16/h3-6,10-13H,7-8H2,1-2H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens)
BDBM50078634
PNG
(CHEMBL3415186)
Show SMILES Cc1cn(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)[N+]([O-])=O)nn1
Show InChI InChI=1S/C17H16N8O2/c1-12-8-24(21-20-12)11-23-10-18-16(14-7-19-22(2)9-14)17(23)13-3-5-15(6-4-13)25(26)27/h3-10H,11H2,1-2H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens)
BDBM50078634
PNG
(CHEMBL3415186)
Show SMILES Cc1cn(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)[N+]([O-])=O)nn1
Show InChI InChI=1S/C17H16N8O2/c1-12-8-24(21-20-12)11-23-10-18-16(14-7-19-22(2)9-14)17(23)13-3-5-15(6-4-13)25(26)27/h3-10H,11H2,1-2H3
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n/an/a 2.45E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens)
BDBM50078631
PNG
(CHEMBL3415177)
Show SMILES Cc1cn(CCn2cnc(c2-c2ccc(cc2)C#N)-c2ccncc2)nn1
Show InChI InChI=1S/C20H17N7/c1-15-13-27(25-24-15)11-10-26-14-23-19(17-6-8-22-9-7-17)20(26)18-4-2-16(12-21)3-5-18/h2-9,13-14H,10-11H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens)
BDBM50078631
PNG
(CHEMBL3415177)
Show SMILES Cc1cn(CCn2cnc(c2-c2ccc(cc2)C#N)-c2ccncc2)nn1
Show InChI InChI=1S/C20H17N7/c1-15-13-27(25-24-15)11-10-26-14-23-19(17-6-8-22-9-7-17)20(26)18-4-2-16(12-21)3-5-18/h2-9,13-14H,10-11H2,1H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens)
BDBM50078641
PNG
(CHEMBL3415179)
Show SMILES Cc1cn(CCn2cnc(-c3cncs3)c2-c2ccc(cc2)C#N)nn1
Show InChI InChI=1S/C18H15N7S/c1-13-10-25(23-22-13)7-6-24-11-21-17(16-9-20-12-26-16)18(24)15-4-2-14(8-19)3-5-15/h2-5,9-12H,6-7H2,1H3
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n/an/a 5.25E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens)
BDBM50078641
PNG
(CHEMBL3415179)
Show SMILES Cc1cn(CCn2cnc(-c3cncs3)c2-c2ccc(cc2)C#N)nn1
Show InChI InChI=1S/C18H15N7S/c1-13-10-25(23-22-13)7-6-24-11-21-17(16-9-20-12-26-16)18(24)15-4-2-14(8-19)3-5-15/h2-5,9-12H,6-7H2,1H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50191201
PNG
(CHEMBL3978955)
Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(O)cc1)-c1ccccc1)C(C)=O
Show InChI InChI=1S/C21H19N5O3S/c1-13(27)22-21-24-26(14(2)28)20(30-21)18-12-25(16-6-4-3-5-7-16)23-19(18)15-8-10-17(29)11-9-15/h3-12,20,29H,1-2H3,(H,22,24,27)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha production from PGH2 by enzyme immunoassay


Eur J Med Chem 120: 170-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.077
BindingDB Entry DOI: 10.7270/Q2M32XQK
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50191273
PNG
(CHEMBL3908604)
Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1)C(C)=O
Show InChI InChI=1S/C21H18N6O4S/c1-13(28)22-21-24-26(14(2)29)20(32-21)18-12-25(16-6-4-3-5-7-16)23-19(18)15-8-10-17(11-9-15)27(30)31/h3-12,20H,1-2H3,(H,22,24,28)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha production from PGH2 by enzyme immunoassay


Eur J Med Chem 120: 170-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.077
BindingDB Entry DOI: 10.7270/Q2M32XQK
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens)
BDBM50078632
PNG
(CHEMBL3415176)
Show SMILES Cc1cn(CCn2cnc(c2-c2ccc(cc2)C#N)-c2ccccc2)nn1
Show InChI InChI=1S/C21H18N6/c1-16-14-27(25-24-16)12-11-26-15-23-20(18-5-3-2-4-6-18)21(26)19-9-7-17(13-22)8-10-19/h2-10,14-15H,11-12H2,1H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens)
BDBM50078637
PNG
(CHEMBL3415183)
Show SMILES Cn1cc(cn1)-c1ncn(C)c1-c1ccc(cc1)C#N
Show InChI InChI=1S/C15H13N5/c1-19-10-17-14(13-8-18-20(2)9-13)15(19)12-5-3-11(7-16)4-6-12/h3-6,8-10H,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens)
BDBM50078639
PNG
(CHEMBL3415181)
Show SMILES Cc1cn(CCn2cncc2-c2ccc(cc2)C#N)nn1
Show InChI InChI=1S/C15H14N6/c1-12-10-21(19-18-12)7-6-20-11-17-9-15(20)14-4-2-13(8-16)3-5-14/h2-5,9-11H,6-7H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens)
BDBM50078637
PNG
(CHEMBL3415183)
Show SMILES Cn1cc(cn1)-c1ncn(C)c1-c1ccc(cc1)C#N
Show InChI InChI=1S/C15H13N5/c1-19-10-17-14(13-8-18-20(2)9-13)15(19)12-5-3-11(7-16)4-6-12/h3-6,8-10H,1-2H3
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens)
BDBM50078630
PNG
(CHEMBL3415178)
Show SMILES Cc1cn(CCn2cnc(c2-c2ccc(cc2)C#N)-c2cccnc2)nn1
Show InChI InChI=1S/C20H17N7/c1-15-13-27(25-24-15)10-9-26-14-23-19(18-3-2-8-22-12-18)20(26)17-6-4-16(11-21)5-7-17/h2-8,12-14H,9-10H2,1H3
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens)
BDBM50078640
PNG
(CHEMBL3415180)
Show SMILES Cc1cn(CCn2cnc(-c3cc(C)no3)c2-c2ccc(cc2)C#N)nn1
Show InChI InChI=1S/C19H17N7O/c1-13-9-17(27-23-13)18-19(16-5-3-15(10-20)4-6-16)25(12-21-18)7-8-26-11-14(2)22-24-26/h3-6,9,11-12H,7-8H2,1-2H3
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens)
BDBM50078640
PNG
(CHEMBL3415180)
Show SMILES Cc1cn(CCn2cnc(-c3cc(C)no3)c2-c2ccc(cc2)C#N)nn1
Show InChI InChI=1S/C19H17N7O/c1-13-9-17(27-23-13)18-19(16-5-3-15(10-20)4-6-16)25(12-21-18)7-8-26-11-14(2)22-24-26/h3-6,9,11-12H,7-8H2,1-2H3
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens)
BDBM50078639
PNG
(CHEMBL3415181)
Show SMILES Cc1cn(CCn2cncc2-c2ccc(cc2)C#N)nn1
Show InChI InChI=1S/C15H14N6/c1-12-10-21(19-18-12)7-6-20-11-17-9-15(20)14-4-2-13(8-16)3-5-14/h2-5,9-11H,6-7H2,1H3
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens)
BDBM50078630
PNG
(CHEMBL3415178)
Show SMILES Cc1cn(CCn2cnc(c2-c2ccc(cc2)C#N)-c2cccnc2)nn1
Show InChI InChI=1S/C20H17N7/c1-15-13-27(25-24-15)10-9-26-14-23-19(18-3-2-8-22-12-18)20(26)17-6-4-16(11-21)5-7-17/h2-8,12-14H,9-10H2,1H3
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens)
BDBM50078632
PNG
(CHEMBL3415176)
Show SMILES Cc1cn(CCn2cnc(c2-c2ccc(cc2)C#N)-c2ccccc2)nn1
Show InChI InChI=1S/C21H18N6/c1-16-14-27(25-24-16)12-11-26-15-23-20(18-5-3-2-4-6-18)21(26)19-9-7-17(13-22)8-10-19/h2-10,14-15H,11-12H2,1H3
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n/an/a 5.10E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50191273
PNG
(CHEMBL3908604)
Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1)C(C)=O
Show InChI InChI=1S/C21H18N6O4S/c1-13(28)22-21-24-26(14(2)29)20(32-21)18-12-25(16-6-4-3-5-7-16)23-19(18)15-8-10-17(11-9-15)27(30)31/h3-12,20H,1-2H3,(H,22,24,28)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of recombinant ovine COX1 assessed as reduction in PGF2alpha production from PGH2 by enzyme immunoassay


Eur J Med Chem 120: 170-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.077
BindingDB Entry DOI: 10.7270/Q2M32XQK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50191201
PNG
(CHEMBL3978955)
Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(O)cc1)-c1ccccc1)C(C)=O
Show InChI InChI=1S/C21H19N5O3S/c1-13(27)22-21-24-26(14(2)28)20(30-21)18-12-25(16-6-4-3-5-7-16)23-19(18)15-8-10-17(29)11-9-15/h3-12,20,29H,1-2H3,(H,22,24,27)
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n/an/a 7.30E+4n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of recombinant ovine COX1 assessed as reduction in PGF2alpha production from PGH2 by enzyme immunoassay


Eur J Med Chem 120: 170-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.077
BindingDB Entry DOI: 10.7270/Q2M32XQK
More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens)
BDBM50078633
PNG
(CHEMBL3415187)
Show SMILES Cn1cc(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C19H17N7/c1-24-10-15(8-22-24)11-26-13-21-18(17-9-23-25(2)12-17)19(26)16-5-3-14(7-20)4-6-16/h3-6,8-10,12-13H,11H2,1-2H3
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n/an/an/a 1.55E+3n/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to CECR2 (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens)
BDBM50078633
PNG
(CHEMBL3415187)
Show SMILES Cn1cc(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C19H17N7/c1-24-10-15(8-22-24)11-26-13-21-18(17-9-23-25(2)12-17)19(26)16-5-3-14(7-20)4-6-16/h3-6,8-10,12-13H,11H2,1-2H3
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to BAZ2B (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2A


(Homo sapiens)
BDBM50078633
PNG
(CHEMBL3415187)
Show SMILES Cn1cc(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C19H17N7/c1-24-10-15(8-22-24)11-26-13-21-18(17-9-23-25(2)12-17)19(26)16-5-3-14(7-20)4-6-16/h3-6,8-10,12-13H,11H2,1-2H3
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to BAZ2A (unknown origin) by isothermal titration calorimetric analysis


J Med Chem 58: 2553-9 (2015)


Article DOI: 10.1021/jm501963e
BindingDB Entry DOI: 10.7270/Q2V69M9B
More data for this
Ligand-Target Pair