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15 similar compounds to monomer 50235705

Compile data set for download or QSAR
Wt: 494.2
BDBM50235706
Wt: 588.9
BDBM50235694
Wt: 337.3
BDBM50235700
Wt: 510.2
BDBM50235707
Wt: 341.8
BDBM50235699
Wt: 498.1
BDBM50235708
Wt: 514.6
BDBM50235702
Wt: 523.2
BDBM50235703
Wt: 333.7
BDBM50235695
Wt: 357.4
BDBM50235696
Wt: 357.4
BDBM50235697
Wt: 367.4
BDBM50235698
Wt: 494.2
BDBM50235701
Wt: 623.3
BDBM50235704
Wt: 421.5
BDBM50235709

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 71 hits for monomerid = 50235706,50235694,50235700,50235707,50235699,50235708,50235702,50235703,50235695,50235696,50235697,50235698,50235701,50235704,50235709   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235694
PNG
(CHEMBL4095288)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18ClFN6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-4-8-19(30)9-5-16)14-23(32-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,31,39,40)
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250n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235694
PNG
(CHEMBL4095288)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18ClFN6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-4-8-19(30)9-5-16)14-23(32-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,31,39,40)
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1.19E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235694
PNG
(CHEMBL4095288)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18ClFN6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-4-8-19(30)9-5-16)14-23(32-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,31,39,40)
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3.58E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235694
PNG
(CHEMBL4095288)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18ClFN6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-4-8-19(30)9-5-16)14-23(32-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,31,39,40)
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6.64E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50235701
PNG
(CHEMBL4098910)
Show SMILES Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1
Show InChI InChI=1S/C15H10F12N2O3/c1-6-3-2-4-7(5-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by trypsi...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50235702
PNG
(CHEMBL4104197)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C14H7ClF12N2O3/c15-5-3-1-2-4-6(5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50235703
PNG
(CHEMBL4066515)
Show SMILES CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C16H13F12N3O3/c1-31(2)8-5-3-7(4-6-8)29-9(32)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(33)30-34/h3-6,34H,1-2H3,(H,29,32)(H,30,33)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibitory potency against Varicella zoster virus ribonucleotide reductase


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50235704
PNG
(CHEMBL4066343)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H13F12N5O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(41)37-42)15(40)35-12-6-4-5-11(9-12)14-10-39(38-36-14)13-7-2-1-3-8-13/h1-10,42H,(H,35,40)(H,37,41)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibitory potency against Varicella zoster virus ribonucleotide reductase


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50235706
PNG
(CHEMBL4080874)
Show SMILES Cc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO
Show InChI InChI=1S/C15H10F12N2O3/c1-6-4-2-3-5-7(6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50235702
PNG
(CHEMBL4104197)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C14H7ClF12N2O3/c15-5-3-1-2-4-6(5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibitory potency against Varicella zoster virus ribonucleotide reductase


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50235704
PNG
(CHEMBL4066343)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C22H13F12N5O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(41)37-42)15(40)35-12-6-4-5-11(9-12)14-10-39(38-36-14)13-7-2-1-3-8-13/h1-10,42H,(H,35,40)(H,37,41)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibitory potency against Varicella zoster virus ribonucleotide reductase


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50235703
PNG
(CHEMBL4066515)
Show SMILES CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C16H13F12N3O3/c1-31(2)8-5-3-7(4-6-8)29-9(32)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(33)30-34/h3-6,34H,1-2H3,(H,29,32)(H,30,33)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibitory potency against Varicella zoster virus ribonucleotide reductase


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50235703
PNG
(CHEMBL4066515)
Show SMILES CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C16H13F12N3O3/c1-31(2)8-5-3-7(4-6-8)29-9(32)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(33)30-34/h3-6,34H,1-2H3,(H,29,32)(H,30,33)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50235701
PNG
(CHEMBL4098910)
Show SMILES Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1
Show InChI InChI=1S/C15H10F12N2O3/c1-6-3-2-4-7(5-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibitory potency against Varicella zoster virus ribonucleotide reductase


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50235707
PNG
(CHEMBL4095542)
Show SMILES COc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C15H10F12N2O4/c1-33-7-4-2-6(3-5-7)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by trypsi...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50235706
PNG
(CHEMBL4080874)
Show SMILES Cc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO
Show InChI InChI=1S/C15H10F12N2O3/c1-6-4-2-3-5-7(6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by trypsi...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50235702
PNG
(CHEMBL4104197)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C14H7ClF12N2O3/c15-5-3-1-2-4-6(5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50235708
PNG
(CHEMBL4079958)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H7F13N2O3/c15-5-1-3-6(4-2-5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50235708
PNG
(CHEMBL4079958)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H7F13N2O3/c15-5-1-3-6(4-2-5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by trypsi...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50235703
PNG
(CHEMBL4066515)
Show SMILES CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C16H13F12N3O3/c1-31(2)8-5-3-7(4-6-8)29-9(32)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(33)30-34/h3-6,34H,1-2H3,(H,29,32)(H,30,33)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50235701
PNG
(CHEMBL4098910)
Show SMILES Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1
Show InChI InChI=1S/C15H10F12N2O3/c1-6-3-2-4-7(5-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50235707
PNG
(CHEMBL4095542)
Show SMILES COc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C15H10F12N2O4/c1-33-7-4-2-6(3-5-7)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50235708
PNG
(CHEMBL4079958)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H7F13N2O3/c15-5-1-3-6(4-2-5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50235708
PNG
(CHEMBL4079958)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H7F13N2O3/c15-5-1-3-6(4-2-5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by trypsi...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50235702
PNG
(CHEMBL4104197)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C14H7ClF12N2O3/c15-5-3-1-2-4-6(5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by trypsi...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50235706
PNG
(CHEMBL4080874)
Show SMILES Cc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO
Show InChI InChI=1S/C15H10F12N2O3/c1-6-4-2-3-5-7(6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50235708
PNG
(CHEMBL4079958)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H7F13N2O3/c15-5-1-3-6(4-2-5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50235707
PNG
(CHEMBL4095542)
Show SMILES COc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C15H10F12N2O4/c1-33-7-4-2-6(3-5-7)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50235706
PNG
(CHEMBL4080874)
Show SMILES Cc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO
Show InChI InChI=1S/C15H10F12N2O3/c1-6-4-2-3-5-7(6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 1/6


(Homo sapiens (Human))
BDBM50235706
PNG
(CHEMBL4080874)
Show SMILES Cc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO
Show InChI InChI=1S/C15H10F12N2O3/c1-6-4-2-3-5-7(6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by trypsi...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50235706
PNG
(CHEMBL4080874)
Show SMILES Cc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO
Show InChI InChI=1S/C15H10F12N2O3/c1-6-4-2-3-5-7(6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50235701
PNG
(CHEMBL4098910)
Show SMILES Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1
Show InChI InChI=1S/C15H10F12N2O3/c1-6-3-2-4-7(5-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50235701
PNG
(CHEMBL4098910)
Show SMILES Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1
Show InChI InChI=1S/C15H10F12N2O3/c1-6-3-2-4-7(5-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50235702
PNG
(CHEMBL4104197)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C14H7ClF12N2O3/c15-5-3-1-2-4-6(5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50235708
PNG
(CHEMBL4079958)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H7F13N2O3/c15-5-1-3-6(4-2-5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50235702
PNG
(CHEMBL4104197)
Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C14H7ClF12N2O3/c15-5-3-1-2-4-6(5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50235707
PNG
(CHEMBL4095542)
Show SMILES COc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C15H10F12N2O4/c1-33-7-4-2-6(3-5-7)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50235703
PNG
(CHEMBL4066515)
Show SMILES CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C16H13F12N3O3/c1-31(2)8-5-3-7(4-6-8)29-9(32)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(33)30-34/h3-6,34H,1-2H3,(H,29,32)(H,30,33)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50235707
PNG
(CHEMBL4095542)
Show SMILES COc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C15H10F12N2O4/c1-33-7-4-2-6(3-5-7)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50235703
PNG
(CHEMBL4066515)
Show SMILES CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C16H13F12N3O3/c1-31(2)8-5-3-7(4-6-8)29-9(32)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(33)30-34/h3-6,34H,1-2H3,(H,29,32)(H,30,33)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 m...


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50235707
PNG
(CHEMBL4095542)
Show SMILES COc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1
Show InChI InChI=1S/C15H10F12N2O4/c1-33-7-4-2-6(3-5-7)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50235701
PNG
(CHEMBL4098910)
Show SMILES Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1
Show InChI InChI=1S/C15H10F12N2O3/c1-6-3-2-4-7(5-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Applied Sciences Darmstadt

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 27: 1508-1512 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50235695
PNG
(CHEMBL4087709)
Show SMILES COc1cc2cnnc(Nc3ccc(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-5-9-8-19-21-16(11(9)7-15(14)23-2)20-13-4-3-10(17)6-12(13)18/h3-8H,1-2H3,(H,20,21)
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n/an/a 200n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes


Bioorg Med Chem Lett 27: 1602-1607 (2017)

More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50235709
PNG
(CHEMBL4073400)
Show SMILES Fc1ccc(cc1)C(OCCN1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H29F2NO/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)31-19-18-30-16-14-22(15-17-30)20-21-4-2-1-3-5-21/h1-13,22,27H,14-20H2
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n/an/a 6.82E+3n/an/an/an/an/an/a



Chonnam National University

Curated by ChEMBL


Assay Description
Inhibition of yeast Farnesyl transferase


Bioorg Med Chem 25: 2266-2276 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50235697
PNG
(CHEMBL4088617)
Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3cccc4ccccc34)c21
Show InChI InChI=1S/C20H15N5S/c21-18-17-16-13(23-19(17)25-20(22)24-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H5,21,22,23,24,25)
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n/an/a 5.82E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFR-beta phosphorylation in human SF-539 cells preincubated for 60 mins followed by PDGF-BB induction measured after ...


Bioorg Med Chem Lett 27: 1602-1607 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50235698
PNG
(CHEMBL4069070)
Show SMILES COc1ccc(OC)c(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)c1
Show InChI InChI=1S/C18H17N5O2S/c1-24-9-6-7-11(25-2)13(8-9)26-12-5-3-4-10-14(12)15-16(19)22-18(20)23-17(15)21-10/h3-8H,1-2H3,(H5,19,20,21,22,23)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Ability to compete for binding to Class II MHC using ELISA assay.


Bioorg Med Chem Lett 27: 1602-1607 (2017)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50235699
PNG
(CHEMBL4079829)
Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccc(Cl)cc3)c21
Show InChI InChI=1S/C16H12ClN5S/c17-8-4-6-9(7-5-8)23-11-3-1-2-10-12(11)13-14(18)21-16(19)22-15(13)20-10/h1-7H,(H5,18,19,20,21,22)
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n/an/a>2.90E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of mammalian Gamma-aminobutyric acid type B receptor (potent agonist)


Bioorg Med Chem Lett 27: 1602-1607 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50235700
PNG
(CHEMBL4096329)
Show SMILES COc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1
Show InChI InChI=1S/C17H15N5OS/c1-23-9-5-7-10(8-6-9)24-12-4-2-3-11-13(12)14-15(18)21-17(19)22-16(14)20-11/h2-8H,1H3,(H5,18,19,20,21,22)
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n/an/a 6.05E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFR-beta phosphorylation in human SF-539 cells preincubated for 60 mins followed by PDGF-BB induction measured after ...


Bioorg Med Chem Lett 27: 1602-1607 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50235699
PNG
(CHEMBL4079829)
Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccc(Cl)cc3)c21
Show InChI InChI=1S/C16H12ClN5S/c17-8-4-6-9(7-5-8)23-11-3-1-2-10-12(11)13-14(18)21-16(19)22-15(13)20-10/h1-7H,(H5,18,19,20,21,22)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase


Bioorg Med Chem Lett 27: 1602-1607 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50235697
PNG
(CHEMBL4088617)
Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3cccc4ccccc34)c21
Show InChI InChI=1S/C20H15N5S/c21-18-17-16-13(23-19(17)25-20(22)24-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H5,21,22,23,24,25)
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n/an/a 1.67E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR phosphorylation in human A431 cells preincubated for 60 mins followed by EGF induction measured after 10 mins by ELISA


Bioorg Med Chem Lett 27: 1602-1607 (2017)

More data for this
Ligand-Target Pair
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