Found 38 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182718
(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-5-methy...)Show SMILES CCc1cc(-c2n[nH]c(C)c2-c2cccc3OCCOc23)c(O)cc1O |(4.51,-26.5,;3.36,-27.53,;3.68,-29.03,;5.15,-29.51,;5.47,-31.02,;6.93,-31.49,;7.4,-32.95,;8.94,-32.95,;9.42,-31.49,;10.88,-31.01,;8.17,-30.58,;8.16,-29.04,;6.83,-28.27,;6.83,-26.73,;8.17,-25.96,;9.5,-26.73,;10.82,-25.97,;12.15,-26.74,;12.14,-28.27,;10.81,-29.03,;9.5,-28.26,;4.33,-32.04,;4.65,-33.55,;2.87,-31.58,;2.54,-30.06,;1.07,-29.59,)| Show InChI InChI=1S/C20H20N2O4/c1-3-12-9-14(16(24)10-15(12)23)19-18(11(2)21-22-19)13-5-4-6-17-20(13)26-8-7-25-17/h4-6,9-10,23-24H,3,7-8H2,1-2H3,(H,21,22) | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182707
(4-(4-(4-(4-(methylsulfonyl)benzyl)piperazin-1-yl)-...)Show SMILES CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(Br)c(O)cc2O)cc1 Show InChI InChI=1S/C21H23BrN4O4S/c1-31(29,30)15-4-2-14(3-5-15)13-25-6-8-26(9-7-25)18-12-23-24-21(18)16-10-17(22)20(28)11-19(16)27/h2-5,10-12,27-28H,6-9,13H2,1H3,(H,23,24) | PDB
Reactome pathway
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PC sid
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PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM20882
(4-[4-(4-benzylpiperazin-1-yl)-1H-pyrazol-3-yl]-6-c...)Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H21ClN4O2/c21-16-10-15(18(26)11-19(16)27)20-17(12-22-23-20)25-8-6-24(7-9-25)13-14-4-2-1-3-5-14/h1-5,10-12,26-27H,6-9,13H2,(H,22,23) | PDB
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PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182712
(4-(4-(4-(4-(methylsulfonyl)benzyl)piperazin-1-yl)-...)Show SMILES CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C21H23ClN4O4S/c1-31(29,30)15-4-2-14(3-5-15)13-25-6-8-26(9-7-25)18-12-23-24-21(18)16-10-17(22)20(28)11-19(16)27/h2-5,10-12,27-28H,6-9,13H2,1H3,(H,23,24) | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182712
(4-(4-(4-(4-(methylsulfonyl)benzyl)piperazin-1-yl)-...)Show SMILES CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C21H23ClN4O4S/c1-31(29,30)15-4-2-14(3-5-15)13-25-6-8-26(9-7-25)18-12-23-24-21(18)16-10-17(22)20(28)11-19(16)27/h2-5,10-12,27-28H,6-9,13H2,1H3,(H,23,24) | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182715
(4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZE...)Show InChI InChI=1S/C13H15ClN4O2/c14-9-5-8(11(19)6-12(9)20)13-10(7-16-17-13)18-3-1-15-2-4-18/h5-7,15,19-20H,1-4H2,(H,16,17) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182700
(4-phenethyl-6-(4-(piperazin-1-yl)-1H-pyrazol-3-yl)...)Show SMILES Oc1cc(O)c(cc1CCc1ccccc1)-c1n[nH]cc1N1CCNCC1 Show InChI InChI=1S/C21H24N4O2/c26-19-13-20(27)17(12-16(19)7-6-15-4-2-1-3-5-15)21-18(14-23-24-21)25-10-8-22-9-11-25/h1-5,12-14,22,26-27H,6-11H2,(H,23,24) | PDB
Reactome pathway
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM20882
(4-[4-(4-benzylpiperazin-1-yl)-1H-pyrazol-3-yl]-6-c...)Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H21ClN4O2/c21-16-10-15(18(26)11-19(16)27)20-17(12-22-23-20)25-8-6-24(7-9-25)13-14-4-2-1-3-5-14/h1-5,10-12,26-27H,6-9,13H2,(H,22,23) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182702
(4-chloro-6-(5-methyl-4-(piperazin-1-yl)-1H-pyrazol...)Show InChI InChI=1S/C14H17ClN4O2/c1-8-14(19-4-2-16-3-5-19)13(18-17-8)9-6-10(15)12(21)7-11(9)20/h6-7,16,20-21H,2-5H2,1H3,(H,17,18) | PDB
Reactome pathway
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182707
(4-(4-(4-(4-(methylsulfonyl)benzyl)piperazin-1-yl)-...)Show SMILES CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(Br)c(O)cc2O)cc1 Show InChI InChI=1S/C21H23BrN4O4S/c1-31(29,30)15-4-2-14(3-5-15)13-25-6-8-26(9-7-25)18-12-23-24-21(18)16-10-17(22)20(28)11-19(16)27/h2-5,10-12,27-28H,6-9,13H2,1H3,(H,23,24) | PDB
Reactome pathway
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182705
(4-chloro-6-(4-(4-ethylpiperazin-1-yl)-1H-pyrazol-3...)Show InChI InChI=1S/C15H19ClN4O2/c1-2-19-3-5-20(6-4-19)12-9-17-18-15(12)10-7-11(16)14(22)8-13(10)21/h7-9,21-22H,2-6H2,1H3,(H,17,18) | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182710
(4-chloro-6-(4-(4-phenethylpiperazin-1-yl)-1H-pyraz...)Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C21H23ClN4O2/c22-17-12-16(19(27)13-20(17)28)21-18(14-23-24-21)26-10-8-25(9-11-26)7-6-15-4-2-1-3-5-15/h1-5,12-14,27-28H,6-11H2,(H,23,24) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182709
(4-(4-(4-(4-(methylsulfonyl)benzyl)piperazin-1-yl)-...)Show SMILES CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(CCc3ccccc3)c(O)cc2O)cc1 Show InChI InChI=1S/C29H32N4O4S/c1-38(36,37)24-11-8-22(9-12-24)20-32-13-15-33(16-14-32)26-19-30-31-29(26)25-17-23(27(34)18-28(25)35)10-7-21-5-3-2-4-6-21/h2-6,8-9,11-12,17-19,34-35H,7,10,13-16,20H2,1H3,(H,30,31) | PDB
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PC sid
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| Article
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| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182703
(4-bromo-6-(4-(4-(ethylamino)piperidin-1-yl)-1H-pyr...)Show InChI InChI=1S/C16H21BrN4O2/c1-2-18-10-3-5-21(6-4-10)13-9-19-20-16(13)11-7-12(17)15(23)8-14(11)22/h7-10,18,22-23H,2-6H2,1H3,(H,19,20) | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182714
(3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(pipera...)Show SMILES CCNC(=O)c1[nH]nc(c1N1CCNCC1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C16H20ClN5O3/c1-2-19-16(25)14-15(22-5-3-18-4-6-22)13(20-21-14)9-7-10(17)12(24)8-11(9)23/h7-8,18,23-24H,2-6H2,1H3,(H,19,25)(H,20,21) | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182718
(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-5-methy...)Show SMILES CCc1cc(-c2n[nH]c(C)c2-c2cccc3OCCOc23)c(O)cc1O |(4.51,-26.5,;3.36,-27.53,;3.68,-29.03,;5.15,-29.51,;5.47,-31.02,;6.93,-31.49,;7.4,-32.95,;8.94,-32.95,;9.42,-31.49,;10.88,-31.01,;8.17,-30.58,;8.16,-29.04,;6.83,-28.27,;6.83,-26.73,;8.17,-25.96,;9.5,-26.73,;10.82,-25.97,;12.15,-26.74,;12.14,-28.27,;10.81,-29.03,;9.5,-28.26,;4.33,-32.04,;4.65,-33.55,;2.87,-31.58,;2.54,-30.06,;1.07,-29.59,)| Show InChI InChI=1S/C20H20N2O4/c1-3-12-9-14(16(24)10-15(12)23)19-18(11(2)21-22-19)13-5-4-6-17-20(13)26-8-7-25-17/h4-6,9-10,23-24H,3,7-8H2,1-2H3,(H,21,22) | PDB
Reactome pathway
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PC sid
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| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182715
(4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZE...)Show InChI InChI=1S/C13H15ClN4O2/c14-9-5-8(11(19)6-12(9)20)13-10(7-16-17-13)18-3-1-15-2-4-18/h5-7,15,19-20H,1-4H2,(H,16,17) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182716
(5-(4-Piperazin-1-yl-1H-pyrazol-3-yl)-biphenyl-2,4-...)Show InChI InChI=1S/C19H20N4O2/c24-17-11-18(25)15(10-14(17)13-4-2-1-3-5-13)19-16(12-21-22-19)23-8-6-20-7-9-23/h1-5,10-12,20,24-25H,6-9H2,(H,21,22) | PDB
Reactome pathway
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182717
(4-chloro-6-(4-(4-methylpiperazin-1-yl)-1H-pyrazol-...)Show InChI InChI=1S/C14H17ClN4O2/c1-18-2-4-19(5-3-18)11-8-16-17-14(11)9-6-10(15)13(21)7-12(9)20/h6-8,20-21H,2-5H2,1H3,(H,16,17) | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182714
(3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(pipera...)Show SMILES CCNC(=O)c1[nH]nc(c1N1CCNCC1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C16H20ClN5O3/c1-2-19-16(25)14-15(22-5-3-18-4-6-22)13(20-21-14)9-7-10(17)12(24)8-11(9)23/h7-8,18,23-24H,2-6H2,1H3,(H,19,25)(H,20,21) | PDB
Reactome pathway
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antibodypedia
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MMDB
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PC sid
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| Article
PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182716
(5-(4-Piperazin-1-yl-1H-pyrazol-3-yl)-biphenyl-2,4-...)Show InChI InChI=1S/C19H20N4O2/c24-17-11-18(25)15(10-14(17)13-4-2-1-3-5-13)19-16(12-21-22-19)23-8-6-20-7-9-23/h1-5,10-12,20,24-25H,6-9H2,(H,21,22) | PDB
Reactome pathway
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antibodypedia
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| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182700
(4-phenethyl-6-(4-(piperazin-1-yl)-1H-pyrazol-3-yl)...)Show SMILES Oc1cc(O)c(cc1CCc1ccccc1)-c1n[nH]cc1N1CCNCC1 Show InChI InChI=1S/C21H24N4O2/c26-19-13-20(27)17(12-16(19)7-6-15-4-2-1-3-5-15)21-18(14-23-24-21)25-10-8-22-9-11-25/h1-5,12-14,22,26-27H,6-11H2,(H,23,24) | PDB
Reactome pathway
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antibodypedia
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PC sid
UniChem
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PubMed
| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182711
(4-bromo-6-(4-(piperazin-1-yl)-1H-pyrazol-3-yl)benz...)Show InChI InChI=1S/C13H15BrN4O2/c14-9-5-8(11(19)6-12(9)20)13-10(7-16-17-13)18-3-1-15-2-4-18/h5-7,15,19-20H,1-4H2,(H,16,17) | PDB
Reactome pathway
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antibodypedia
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PC sid
UniChem
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PubMed
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182705
(4-chloro-6-(4-(4-ethylpiperazin-1-yl)-1H-pyrazol-3...)Show InChI InChI=1S/C15H19ClN4O2/c1-2-19-3-5-20(6-4-19)12-9-17-18-15(12)10-7-11(16)14(22)8-13(10)21/h7-9,21-22H,2-6H2,1H3,(H,17,18) | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182713
(4-(4-(4-(4-(methylsulfonyl)benzylamino)piperidin-1...)Show SMILES CS(=O)(=O)c1ccc(CNC2CCN(CC2)c2c[nH]nc2-c2cc(Br)c(O)cc2O)cc1 Show InChI InChI=1S/C22H25BrN4O4S/c1-32(30,31)16-4-2-14(3-5-16)12-24-15-6-8-27(9-7-15)19-13-25-26-22(19)17-10-18(23)21(29)11-20(17)28/h2-5,10-11,13,15,24,28-29H,6-9,12H2,1H3,(H,25,26) | PDB
Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| n/a | n/a | 1.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182710
(4-chloro-6-(4-(4-phenethylpiperazin-1-yl)-1H-pyraz...)Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C21H23ClN4O2/c22-17-12-16(19(27)13-20(17)28)21-18(14-23-24-21)26-10-8-25(9-11-26)7-6-15-4-2-1-3-5-15/h1-5,12-14,27-28H,6-11H2,(H,23,24) | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| n/a | n/a | 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182719
(4-bromo-6-(4-(4-hydroxypiperidin-1-yl)-1H-pyrazol-...)Show InChI InChI=1S/C14H16BrN3O3/c15-10-5-9(12(20)6-13(10)21)14-11(7-16-17-14)18-3-1-8(19)2-4-18/h5-8,19-21H,1-4H2,(H,16,17) | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 2.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182699
(4-chloro-6-(4-morpholino-1H-pyrazol-3-yl)benzene-1...)Show InChI InChI=1S/C13H14ClN3O3/c14-9-5-8(11(18)6-12(9)19)13-10(7-15-16-13)17-1-3-20-4-2-17/h5-7,18-19H,1-4H2,(H,15,16) | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| n/a | n/a | 2.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182706
(4-chloro-6-(5-(hydroxymethyl)-4-(piperazin-1-yl)-1...)Show InChI InChI=1S/C14H17ClN4O3/c15-9-5-8(11(21)6-12(9)22)13-14(10(7-20)17-18-13)19-3-1-16-2-4-19/h5-6,16,20-22H,1-4,7H2,(H,17,18) | PDB
Reactome pathway
KEGG
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UniChem
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PubMed
| n/a | n/a | 2.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182703
(4-bromo-6-(4-(4-(ethylamino)piperidin-1-yl)-1H-pyr...)Show InChI InChI=1S/C16H21BrN4O2/c1-2-18-10-3-5-21(6-4-10)13-9-19-20-16(13)11-7-12(17)15(23)8-14(11)22/h7-10,18,22-23H,2-6H2,1H3,(H,19,20) | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 2.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182702
(4-chloro-6-(5-methyl-4-(piperazin-1-yl)-1H-pyrazol...)Show InChI InChI=1S/C14H17ClN4O2/c1-8-14(19-4-2-16-3-5-19)13(18-17-8)9-6-10(15)12(21)7-11(9)20/h6-7,16,20-21H,2-5H2,1H3,(H,17,18) | PDB
Reactome pathway
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PubMed
| n/a | n/a | 2.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182709
(4-(4-(4-(4-(methylsulfonyl)benzyl)piperazin-1-yl)-...)Show SMILES CS(=O)(=O)c1ccc(CN2CCN(CC2)c2c[nH]nc2-c2cc(CCc3ccccc3)c(O)cc2O)cc1 Show InChI InChI=1S/C29H32N4O4S/c1-38(36,37)24-11-8-22(9-12-24)20-32-13-15-33(16-14-32)26-19-30-31-29(26)25-17-23(27(34)18-28(25)35)10-7-21-5-3-2-4-6-21/h2-6,8-9,11-12,17-19,34-35H,7,10,13-16,20H2,1H3,(H,30,31) | PDB
Reactome pathway
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UniChem
| Article
PubMed
| n/a | n/a | 3.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182701
(2-(4-(3-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazol-...)Show SMILES NC(=O)CN1CCN(CC1)c1c[nH]nc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C15H18ClN5O3/c16-10-5-9(12(22)6-13(10)23)15-11(7-18-19-15)21-3-1-20(2-4-21)8-14(17)24/h5-7,22-23H,1-4,8H2,(H2,17,24)(H,18,19) | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 by FP assay |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182713
(4-(4-(4-(4-(methylsulfonyl)benzylamino)piperidin-1...)Show SMILES CS(=O)(=O)c1ccc(CNC2CCN(CC2)c2c[nH]nc2-c2cc(Br)c(O)cc2O)cc1 Show InChI InChI=1S/C22H25BrN4O4S/c1-32(30,31)16-4-2-14(3-5-16)12-24-15-6-8-27(9-7-15)19-13-25-26-22(19)17-10-18(23)21(29)11-20(17)28/h2-5,10-11,13,15,24,28-29H,6-9,12H2,1H3,(H,25,26) | PDB
Reactome pathway
KEGG
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 4.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182699
(4-chloro-6-(4-morpholino-1H-pyrazol-3-yl)benzene-1...)Show InChI InChI=1S/C13H14ClN3O3/c14-9-5-8(11(18)6-12(9)19)13-10(7-15-16-13)17-1-3-20-4-2-17/h5-7,18-19H,1-4H2,(H,15,16) | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 6.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182719
(4-bromo-6-(4-(4-hydroxypiperidin-1-yl)-1H-pyrazol-...)Show InChI InChI=1S/C14H16BrN3O3/c15-10-5-9(12(20)6-13(10)21)14-11(7-16-17-14)18-3-1-8(19)2-4-18/h5-8,19-21H,1-4H2,(H,16,17) | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 9.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182701
(2-(4-(3-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazol-...)Show SMILES NC(=O)CN1CCN(CC1)c1c[nH]nc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C15H18ClN5O3/c16-10-5-9(12(22)6-13(10)23)15-11(7-18-19-15)21-3-1-20(2-4-21)8-14(17)24/h5-7,22-23H,1-4,8H2,(H2,17,24)(H,18,19) | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha/90-beta
(Homo sapiens (Human)) | BDBM50182706
(4-chloro-6-(5-(hydroxymethyl)-4-(piperazin-1-yl)-1...)Show InChI InChI=1S/C14H17ClN4O3/c15-9-5-8(11(21)6-12(9)22)13-14(10(7-20)17-18-13)19-3-1-16-2-4-19/h5-6,16,20-22H,1-4,7H2,(H,17,18) | PDB
Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| n/a | n/a | 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HSP90 ATPase activity |
Bioorg Med Chem Lett 16: 2543-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.099
BindingDB Entry DOI: 10.7270/Q2G44PWS |
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