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Compile Data Set for Download or QSAR

Found 303 hits with Last Name = 'petersen' and Initial = 'k'   
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
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/s2
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n/an/a 0.700n/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]1,25-dihydroxyvitamin D3 from human VDR by HAP assay


J Med Chem 49: 7513-7 (2006)


Article DOI: 10.1021/jm0609925
BindingDB Entry DOI: 10.7270/Q2XG9QS7
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES ONC(=O)CCCCCNC(=O)C=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 0.800n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/s2
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n/an/a 0.800n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Displacement of 1alpha, 25-(OH)[3H]D3 from human VDR expressed in COS1 cells


J Med Chem 50: 5824-32 (2007)


Article DOI: 10.1021/jm070882d
BindingDB Entry DOI: 10.7270/Q2NK3DSS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM101231
PNG
(US8524722, 31)
Show SMILES COCCN(CCOC)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21
Show InChI InChI=1S/C25H29ClFN5O3S/c1-34-12-10-31(11-13-35-2)8-3-4-22(33)32-9-7-18-21(15-32)36-25-23(18)24(28-16-29-25)30-17-5-6-20(27)19(26)14-17/h3-6,14,16H,7-13,15H2,1-2H3,(H,28,29,30)/b4-3+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM101241
PNG
(US8524722, 134)
Show SMILES CN(C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3cc(O)c(Cl)c(Cl)c3)c21)C(C)(C)C
Show InChI InChI=1S/C24H27Cl2N5O2S/c1-24(2,3)30(4)8-5-6-19(33)31-9-7-15-18(12-31)34-23-20(15)22(27-13-28-23)29-14-10-16(25)21(26)17(32)11-14/h5-6,10-11,13,32H,7-9,12H2,1-4H3,(H,27,28,29)/b6-5+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM101240
PNG
(US8524722, 123)
Show SMILES CC(C)C(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3cc(O)cc(Cl)c3)c21
Show InChI InChI=1/C24H27ClN4O2S/c1-14(2)15(3)5-4-6-21(31)29-8-7-19-20(12-29)32-24-22(19)23(26-13-27-24)28-17-9-16(25)10-18(30)11-17/h4,6,9-11,13-15,30H,5,7-8,12H2,1-3H3,(H,26,27,28)/b6-4+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM101239
PNG
(US8524722, 119)
Show SMILES Clc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\CNC23CC4CC(CC(C4)C2)C3)cc1Cl
Show InChI InChI=1S/C29H31Cl2N5OS/c30-22-4-3-20(11-23(22)31)35-27-26-21-5-7-36(15-24(21)38-28(26)33-16-32-27)25(37)2-1-6-34-29-12-17-8-18(13-29)10-19(9-17)14-29/h1-4,11,16-19,34H,5-10,12-15H2,(H,32,33,35)/b2-1+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM101237
PNG
(US8524722, 90)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CCc2c(C1)oc1ncnc(Nc3ccc(F)c(Cl)c3)c21
Show InChI InChI=1S/C23H25ClFN5O2/c1-14(2)29(3)9-4-5-20(31)30-10-8-16-19(12-30)32-23-21(16)22(26-13-27-23)28-15-6-7-18(25)17(24)11-15/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,26,27,28)/b5-4+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM101226
PNG
(US8524722, 5)
Show SMILES Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\CN2CCCOCC2)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O2S/c25-18-13-16(4-5-19(18)26)29-23-22-17-6-9-31(14-20(17)34-24(22)28-15-27-23)21(32)3-1-7-30-8-2-11-33-12-10-30/h1,3-5,13,15H,2,6-12,14H2,(H,27,28,29)/b3-1+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM101228
PNG
(US8524722, 12)
Show SMILES CC(C)(CN1CCOCC1)NC\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21
Show InChI InChI=1S/C27H32ClFN6O2S/c1-27(2,16-34-10-12-37-13-11-34)32-8-3-4-23(36)35-9-7-19-22(15-35)38-26-24(19)25(30-17-31-26)33-18-5-6-21(29)20(28)14-18/h3-6,14,17,32H,7-13,15-16H2,1-2H3,(H,30,31,33)/b4-3+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM101230
PNG
(US8524722, 14)
Show SMILES CN1CCC[C@H]1\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21
Show InChI InChI=1/C23H23ClFN5OS/c1-29-9-2-3-15(29)5-7-20(31)30-10-8-16-19(12-30)32-23-21(16)22(26-13-27-23)28-14-4-6-18(25)17(24)11-14/h4-7,11,13,15H,2-3,8-10,12H2,1H3,(H,26,27,28)/b7-5+/t15-/s2
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM101243
PNG
(US8524722, 143)
Show SMILES Clc1ccc(Nc2ncnc3sc4CN(CCCc4c23)C(=O)\C=C\CN2CCCOCC2)cc1Cl
Show InChI InChI=1S/C25H27Cl2N5O2S/c26-19-7-6-17(14-20(19)27)30-24-23-18-4-1-10-32(15-21(18)35-25(23)29-16-28-24)22(33)5-2-8-31-9-3-12-34-13-11-31/h2,5-7,14,16H,1,3-4,8-13,15H2,(H,28,29,30)/b5-2+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM101232
PNG
(US8524722, 70)
Show SMILES CN(C)C(=O)N1CCN(C\C=C\C(=O)N2CCc3c(C2)sc2ncnc(Nc4ccc(F)c(Cl)c4)c32)CC1
Show InChI InChI=1S/C26H29ClFN7O2S/c1-32(2)26(37)34-12-10-33(11-13-34)8-3-4-22(36)35-9-7-18-21(15-35)38-25-23(18)24(29-16-30-25)31-17-5-6-20(28)19(27)14-17/h3-6,14,16H,7-13,15H2,1-2H3,(H,29,30,31)/b4-3+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM101227
PNG
(US8524722, 10)
Show SMILES Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\CN2C3CCC2CC3)cc1Cl
Show InChI InChI=1S/C25H25ClFN5OS/c26-19-12-15(3-8-20(19)27)30-24-23-18-9-11-31(13-21(18)34-25(23)29-14-28-24)22(33)2-1-10-32-16-4-5-17(32)7-6-16/h1-3,8,12,14,16-17H,4-7,9-11,13H2,(H,28,29,30)/b2-1+
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n/an/a 1.10n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES ONC(=O)CCCCCNC(=O)C=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 1.20n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
MAP Kinase interacting Kinase


(Homo sapiens (Human))
BDBM358869
PNG
(3-(1-Benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbu...)
Show SMILES CC(C)[C@@H](CO)NC(=O)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1/C20H20N4O3/c1-12(2)15(11-25)22-20(26)14-7-8-19-21-10-16(24(19)23-14)18-9-13-5-3-4-6-17(13)27-18/h3-10,12,15,25H,11H2,1-2H3,(H,22,26)/t15-/s2
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n/an/a 1.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
MKNK1-inhibitory activity of compounds of the present invention was quantified employing the MKNK1 TR-FRET assay as described in the following paragr...


US Patent US10214545 (2019)


Article DOI: 10.1021/jm070316i
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM101234
PNG
(US8524722, 84)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1Cc2sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3c2C1
Show InChI InChI=1S/C22H23Cl2N5OS/c1-13(2)28(3)8-4-5-19(30)29-10-15-18(11-29)31-22-20(15)21(25-12-26-22)27-14-6-7-16(23)17(24)9-14/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,25,26,27)/b5-4+
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n/an/a 1.40n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
MAP Kinase interacting Kinase


(Homo sapiens (Human))
BDBM358860
PNG
(N-[3-(dimethylamino)propyl]-3-[4-(morpholin-4-yl)f...)
Show SMILES CN(C)CCCNC(=O)c1ccc2ncc(-c3cc4c(nccc4o3)N3CCOCC3)n2n1
Show InChI InChI=1S/C23H27N7O3/c1-28(2)9-3-7-25-23(31)17-4-5-21-26-15-18(30(21)27-17)20-14-16-19(33-20)6-8-24-22(16)29-10-12-32-13-11-29/h4-6,8,14-15H,3,7,9-13H2,1-2H3,(H,25,31)
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n/an/a 1.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
MKNK1-inhibitory activity of compounds of the present invention was quantified employing the MKNK1 TR-FRET assay as described in the following paragr...


US Patent US10214545 (2019)


Article DOI: 10.1021/jm070316i
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES ONC(=O)CCCCCNC(=O)C=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 1.60n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
MAP Kinase interacting Kinase


(Homo sapiens (Human))
BDBM358868
PNG
(3-(1-Benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]im...)
Show SMILES CN(C)CCNC(=O)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C19H19N5O2/c1-23(2)10-9-20-19(25)14-7-8-18-21-12-15(24(18)22-14)17-11-13-5-3-4-6-16(13)26-17/h3-8,11-12H,9-10H2,1-2H3,(H,20,25)
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n/an/a 1.70n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
MKNK1-inhibitory activity of compounds of the present invention was quantified employing the MKNK1 TR-FRET assay as described in the following paragr...


US Patent US10214545 (2019)


Article DOI: 10.1021/jm070316i
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES ONC(=O)CCCCCNC(=O)C=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 2n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM101229
PNG
(US8524722, 13)
Show SMILES Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\[C@@H]2CCCN2)cc1Cl
Show InChI InChI=1/C22H21ClFN5OS/c23-16-10-14(3-5-17(16)24)28-21-20-15-7-9-29(11-18(15)31-22(20)27-12-26-21)19(30)6-4-13-2-1-8-25-13/h3-6,10,12-13,25H,1-2,7-9,11H2,(H,26,27,28)/b6-4+/t13-/s2
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US Patent
n/an/a 2n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.


US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES ONC(=O)CCCCCNC(=O)C=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 2.30n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 2.5n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50268121
PNG
((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+
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n/an/a 2.5n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
MAP Kinase interacting Kinase


(Homo sapiens (Human))
BDBM358856
PNG
(N-(2-methoxyethyl)-N-methyl-3-[4-(morpholin-4-yl)f...)
Show SMILES COCCN(C)C(=O)c1ccc2ncc(-c3cc4c(nccc4o3)N3CCOCC3)n2n1
Show InChI InChI=1S/C22H24N6O4/c1-26(7-10-30-2)22(29)16-3-4-20-24-14-17(28(20)25-16)19-13-15-18(32-19)5-6-23-21(15)27-8-11-31-12-9-27/h3-6,13-14H,7-12H2,1-2H3
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n/an/a 2.60n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
MKNK1-inhibitory activity of compounds of the present invention was quantified employing the MKNK1 TR-FRET assay as described in the following paragr...


US Patent US10214545 (2019)


Article DOI: 10.1021/jm070316i
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES ONC(=O)CCCCCNC(=O)C=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 2.80n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 2.80n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
MAP Kinase interacting Kinase


(Homo sapiens (Human))
BDBM358858
PNG
(N-[(2R)-1-hydroxypropan-2-yl]-3-[4-(morpholin-4-yl...)
Show SMILES C[C@H](CO)NC(=O)c1ccc2ncc(-c3cc4c(nccc4o3)N3CCOCC3)n2n1
Show InChI InChI=1/C21H22N6O4/c1-13(12-28)24-21(29)15-2-3-19-23-11-16(27(19)25-15)18-10-14-17(31-18)4-5-22-20(14)26-6-8-30-9-7-26/h2-5,10-11,13,28H,6-9,12H2,1H3,(H,24,29)/t13-/s2
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n/an/a 2.80n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
MKNK1-inhibitory activity of compounds of the present invention was quantified employing the MKNK1 TR-FRET assay as described in the following paragr...


US Patent US10214545 (2019)


Article DOI: 10.1021/jm070316i
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 2.90n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM337240
PNG
(N-[3-(1-Benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-...)
Show SMILES O=C(CCc1cccnc1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C22H17N5O2/c28-22(10-7-15-4-3-11-23-13-15)25-20-8-9-21-24-14-17(27(21)26-20)19-12-16-5-1-2-6-18(16)29-19/h1-6,8-9,11-14H,7,10H2,(H,25,26,28)
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n/an/a 3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9745304 (2017)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2D79DHV
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50268121
PNG
((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+
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n/an/a 3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM337234
PNG
(N-[3-(1-Benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-...)
Show SMILES OC(C(=O)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1cccnc1
Show InChI InChI=1/C21H15N5O3/c27-20(14-5-3-9-22-11-14)21(28)24-18-7-8-19-23-12-15(26(19)25-18)17-10-13-4-1-2-6-16(13)29-17/h1-12,20,27H,(H,24,25,28)
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n/an/a 3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9745304 (2017)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2D79DHV
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM337246
PNG
((2R)-2-hydroxy-N-[3-(4-methoxyfuro[3,2-c]pyridin-2...)
Show SMILES COc1nccc2oc(cc12)-c1cnc2ccc(NC(=O)[C@@H](C)O)nn12
Show InChI InChI=1/C17H15N5O4/c1-9(23)16(24)20-14-3-4-15-19-8-11(22(15)21-14)13-7-10-12(26-13)5-6-18-17(10)25-2/h3-9,23H,1-2H3,(H,20,21,24)/t9-/s2
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n/an/a 3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9745304 (2017)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2D79DHV
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM337240
PNG
(N-[3-(1-Benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-...)
Show SMILES O=C(CCc1cccnc1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C22H17N5O2/c28-22(10-7-15-4-3-11-23-13-15)25-20-8-9-21-24-14-17(27(21)26-20)19-12-16-5-1-2-6-18(16)29-19/h1-6,8-9,11-14H,7,10H2,(H,25,26,28)
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n/an/a 3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9745304 (2017)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2D79DHV
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM337242
PNG
((5S)-1-[3-(1-Benzofuran-2-yl)imidazo[1,2-b]pyridaz...)
Show SMILES OC[C@@H]1CCC(=O)N1c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1/C19H16N4O3/c24-11-13-5-8-19(25)22(13)18-7-6-17-20-10-14(23(17)21-18)16-9-12-3-1-2-4-15(12)26-16/h1-4,6-7,9-10,13,24H,5,8,11H2/t13-/s2
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n/an/a 3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9745304 (2017)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2D79DHV
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM337246
PNG
((2R)-2-hydroxy-N-[3-(4-methoxyfuro[3,2-c]pyridin-2...)
Show SMILES COc1nccc2oc(cc12)-c1cnc2ccc(NC(=O)[C@@H](C)O)nn12
Show InChI InChI=1/C17H15N5O4/c1-9(23)16(24)20-14-3-4-15-19-8-11(22(15)21-14)13-7-10-12(26-13)5-6-18-17(10)25-2/h3-9,23H,1-2H3,(H,20,21,24)/t9-/s2
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n/an/a 3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9745304 (2017)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2D79DHV
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM337234
PNG
(N-[3-(1-Benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-...)
Show SMILES OC(C(=O)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1cccnc1
Show InChI InChI=1/C21H15N5O3/c27-20(14-5-3-9-22-11-14)21(28)24-18-7-8-19-23-12-15(26(19)25-18)17-10-13-4-1-2-6-16(13)29-17/h1-12,20,27H,(H,24,25,28)
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n/an/a 3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9745304 (2017)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2D79DHV
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM337242
PNG
((5S)-1-[3-(1-Benzofuran-2-yl)imidazo[1,2-b]pyridaz...)
Show SMILES OC[C@@H]1CCC(=O)N1c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1/C19H16N4O3/c24-11-13-5-8-19(25)22(13)18-7-6-17-20-10-14(23(17)21-18)16-9-12-3-1-2-4-15(12)26-16/h1-4,6-7,9-10,13,24H,5,8,11H2/t13-/s2
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n/an/a 3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9745304 (2017)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2D79DHV
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50268042
PNG
((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...)
Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
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n/an/a 3.10n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50268121
PNG
((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+
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n/an/a 3.20n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
MAP Kinase interacting Kinase


(Homo sapiens (Human))
BDBM358861
PNG
(3-(1-Benzofuran-2-yl)-N-[3-(dimethylamino)propyl]i...)
Show SMILES CN(C)CCCNC(=O)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C20H21N5O2/c1-24(2)11-5-10-21-20(26)15-8-9-19-22-13-16(25(19)23-15)18-12-14-6-3-4-7-17(14)27-18/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,21,26)
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US Patent
n/an/a 3.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
MKNK1-inhibitory activity of compounds of the present invention was quantified employing the MKNK1 TR-FRET assay as described in the following paragr...


US Patent US10214545 (2019)


Article DOI: 10.1021/jm070316i
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 3.40n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50268042
PNG
((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...)
Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
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n/an/a 3.5n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50268042
PNG
((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...)
Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
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n/an/a 3.5n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50268042
PNG
((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...)
Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
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n/an/a 3.70n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
MAP Kinase interacting Kinase


(Homo sapiens (Human))
BDBM358853
PNG
(N-(3-methoxypropyl)-3-[4-(morpholin-4-yl)furo[3,2-...)
Show SMILES COCCCNC(=O)c1ccc2ncc(-c3cc4c(nccc4o3)N3CCOCC3)n2n1
Show InChI InChI=1S/C22H24N6O4/c1-30-10-2-6-24-22(29)16-3-4-20-25-14-17(28(20)26-16)19-13-15-18(32-19)5-7-23-21(15)27-8-11-31-12-9-27/h3-5,7,13-14H,2,6,8-12H2,1H3,(H,24,29)
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US Patent
n/an/a 3.80n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
MKNK1-inhibitory activity of compounds of the present invention was quantified employing the MKNK1 TR-FRET assay as described in the following paragr...


US Patent US10214545 (2019)


Article DOI: 10.1021/jm070316i
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268121
PNG
((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+
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n/an/a 3.90n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM337236
PNG
(N-[3-(1-Benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-...)
Show SMILES OC(C1CCOCC1)C(=O)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1/C21H20N4O4/c26-20(13-7-9-28-10-8-13)21(27)23-18-5-6-19-22-12-15(25(19)24-18)17-11-14-3-1-2-4-16(14)29-17/h1-6,11-13,20,26H,7-10H2,(H,23,24,27)
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n/an/a 4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9745304 (2017)


Article DOI: 10.1016/j.bmcl.2004.10.092
BindingDB Entry DOI: 10.7270/Q2D79DHV
More data for this
Ligand-Target Pair
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