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Found 9 hits Enz. Inhib. hit(s) with Target = 'Catalytic domain 2 (zCD2)'   
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
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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0.600n/a 1.10n/an/an/an/an/an/a



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM198120
PNG
(TSA)
Show SMILES CC(\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
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0.800n/a 1.40n/an/an/an/an/an/a



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)

More data for this
Ligand-Target Pair
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM198121
PNG
(HPOB)
Show SMILES OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22)
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1n/a 1.80n/an/an/an/an/an/a



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM25150
PNG
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
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1.10n/a 1.90n/an/an/an/an/an/a



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM198124
PNG
(Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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1.40n/a 2.5n/an/an/an/an/an/a



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM50123957
PNG
((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)
Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
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4.30n/a 7.5n/an/an/an/an/an/a



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)

More data for this
Ligand-Target Pair
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM198122
PNG
(HC toxin)
Show SMILES C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCC(=O)[C@@H]2CO2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)/t12-,13+,14-,15+,17-/m0/s1
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350n/a 600n/an/an/an/an/an/a



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)

More data for this
Ligand-Target Pair
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM198123
PNG
(Trifluoroketone)
Show SMILES CC(=O)C(F)(F)F
Show InChI InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3
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800n/a 1.40E+3n/an/an/an/an/an/a



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)

More data for this
Ligand-Target Pair
Catalytic domain 2 (zCD2)


(Danio rerio)
BDBM198125
PNG
(fl-SAHA)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C28H26N2O8/c31-17-8-11-20-23(14-17)38-24-15-18(32)9-12-21(24)27(20)19-10-7-16(13-22(19)28(35)36)29-25(33)5-3-1-2-4-6-26(34)30-37/h7-15,31,37H,1-6H2,(H,29,33)(H,30,34)(H,35,36)
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n/an/an/a 50n/an/an/an/an/a



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)

More data for this
Ligand-Target Pair