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Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'collier' and Initial = 'a'   
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
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210610
PNG
(CHEMBL395623 | N-(4-chlorobenzyl)-2-(((2-(benzofur...)
Show SMILES CN(CC(O)c1cc2ccccc2o1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C28H26ClN3O4S/c1-31(16-23(33)25-11-18-5-3-4-6-24(18)36-25)14-20-12-21-26(34)22(15-32(2)28(21)37-20)27(35)30-13-17-7-9-19(29)10-8-17/h3-12,15,23,33H,13-14,16H2,1-2H3,(H,30,35)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210598
PNG
((S)-N-(4-chlorobenzyl)-2-(((2-hydroxypropyl)(methy...)
Show SMILES C[C@H](O)CN(C)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C21H24ClN3O3S/c1-13(26)10-24(2)11-16-8-17-19(27)18(12-25(3)21(17)29-16)20(28)23-9-14-4-6-15(22)7-5-14/h4-8,12-13,26H,9-11H2,1-3H3,(H,23,28)/t13-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210588
PNG
((R)-N-(4-chlorobenzyl)-2-(((2-hydroxy-2-(pyrazin-2...)
Show SMILES CN(C[C@@H](O)c1cnccn1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C24H24ClN5O3S/c1-29(14-21(31)20-11-26-7-8-27-20)12-17-9-18-22(32)19(13-30(2)24(18)34-17)23(33)28-10-15-3-5-16(25)6-4-15/h3-9,11,13,21,31H,10,12,14H2,1-2H3,(H,28,33)/t21-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210609
PNG
((R)-N-(3-chlorobenzyl)-2-(((2-hydroxy-2-(pyridin-2...)
Show SMILES CN(C[C@@H](O)c1ccccn1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1cccc(Cl)c1)c2=O
Show InChI InChI=1S/C25H25ClN4O3S/c1-29(15-22(31)21-8-3-4-9-27-21)13-18-11-19-23(32)20(14-30(2)25(19)34-18)24(33)28-12-16-6-5-7-17(26)10-16/h3-11,14,22,31H,12-13,15H2,1-2H3,(H,28,33)/t22-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210594
PNG
(CHEMBL247355 | N-(4-chlorobenzyl)-2-(((2-hydroxy-2...)
Show SMILES CN(CC(O)c1ccc2ccccc2n1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C29H27ClN4O3S/c1-33(17-26(35)25-12-9-19-5-3-4-6-24(19)32-25)15-21-13-22-27(36)23(16-34(2)29(22)38-21)28(37)31-14-18-7-10-20(30)11-8-18/h3-13,16,26,35H,14-15,17H2,1-2H3,(H,31,37)
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n/an/a 65n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210615
PNG
(CHEMBL247554 | N-(4-chlorobenzyl)-2-(((2-(3-cyanop...)
Show SMILES CN(CC(O)c1cccc(c1)C#N)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C27H25ClN4O3S/c1-31(16-24(33)19-5-3-4-18(10-19)12-29)14-21-11-22-25(34)23(15-32(2)27(22)36-21)26(35)30-13-17-6-8-20(28)9-7-17/h3-11,15,24,33H,13-14,16H2,1-2H3,(H,30,35)
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n/an/a 66n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210620
PNG
(CHEMBL247148 | N-(4-chlorobenzyl)-2-(((2-(furan-2-...)
Show SMILES CN(CC(O)c1ccco1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C24H24ClN3O4S/c1-27(14-20(29)21-4-3-9-32-21)12-17-10-18-22(30)19(13-28(2)24(18)33-17)23(31)26-11-15-5-7-16(25)8-6-15/h3-10,13,20,29H,11-12,14H2,1-2H3,(H,26,31)
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n/an/a 77n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210586
PNG
(CHEMBL247752 | N-(4-chlorobenzyl)-2-(((2-hydroxy-2...)
Show SMILES CN(CC(O)c1cnccn1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C24H24ClN5O3S/c1-29(14-21(31)20-11-26-7-8-27-20)12-17-9-18-22(32)19(13-30(2)24(18)34-17)23(33)28-10-15-3-5-16(25)6-4-15/h3-9,11,13,21,31H,10,12,14H2,1-2H3,(H,28,33)
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n/an/a 85n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210601
PNG
(CHEMBL246525 | N-(3-chlorobenzyl)-2-(((2-hydroxy-2...)
Show SMILES CN(CC(O)c1ccccn1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1cccc(Cl)c1)c2=O
Show InChI InChI=1S/C25H25ClN4O3S/c1-29(15-22(31)21-8-3-4-9-27-21)13-18-11-19-23(32)20(14-30(2)25(19)34-18)24(33)28-12-16-6-5-7-17(26)10-16/h3-11,14,22,31H,12-13,15H2,1-2H3,(H,28,33)
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n/an/a 86n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210616
PNG
(CHEMBL247556 | N-(4-chlorobenzyl)-2-(((2-hydroxy-2...)
Show SMILES COc1cccc(c1)C(O)CN(C)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C27H28ClN3O4S/c1-30(16-24(32)18-5-4-6-20(11-18)35-3)14-21-12-22-25(33)23(15-31(2)27(22)36-21)26(34)29-13-17-7-9-19(28)10-8-17/h4-12,15,24,32H,13-14,16H2,1-3H3,(H,29,34)
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n/an/a 87n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210606
PNG
(CHEMBL396572 | N-(4-chlorobenzyl)-2-(((2-hydroxy-2...)
Show SMILES CN(CC(O)c1ccc(O)cc1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C26H26ClN3O4S/c1-29(15-23(32)17-5-9-19(31)10-6-17)13-20-11-21-24(33)22(14-30(2)26(21)35-20)25(34)28-12-16-3-7-18(27)8-4-16/h3-11,14,23,31-32H,12-13,15H2,1-2H3,(H,28,34)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210617
PNG
((S)-N-(4-chlorobenzyl)-2-(((2-hydroxy-2-phenylethy...)
Show SMILES CN(C[C@@H](O)c1ccccc1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C26H26ClN3O3S/c1-29(16-23(31)18-6-4-3-5-7-18)14-20-12-21-24(32)22(15-30(2)26(21)34-20)25(33)28-13-17-8-10-19(27)11-9-17/h3-12,15,23,31H,13-14,16H2,1-2H3,(H,28,33)/t23-/m1/s1
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Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210612
PNG
(CHEMBL245291 | N-(4-chlorobenzyl)-2-(((2-hydroxy-2...)
Show SMILES CN(CC(O)c1ccccc1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C26H26ClN3O3S/c1-29(16-23(31)18-6-4-3-5-7-18)14-20-12-21-24(32)22(15-30(2)26(21)34-20)25(33)28-13-17-8-10-19(27)11-9-17/h3-12,15,23,31H,13-14,16H2,1-2H3,(H,28,33)
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Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210611
PNG
(CHEMBL247751 | N-(4-chlorobenzyl)-2-(((2-hydroxy-2...)
Show SMILES CN(CC(O)c1ncccn1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C24H24ClN5O3S/c1-29(14-20(31)22-26-8-3-9-27-22)12-17-10-18-21(32)19(13-30(2)24(18)34-17)23(33)28-11-15-4-6-16(25)7-5-15/h3-10,13,20,31H,11-12,14H2,1-2H3,(H,28,33)
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Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (Human))		BDBM50182718
PNG
(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
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
KEGG

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n/an/a 148n/an/an/an/an/an/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
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210595
PNG
(CHEMBL246732 | N-(3-chlorobenzyl)-2-(((2-hydroxy-2...)
Show SMILES CN(CC(O)c1cccnc1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1cccc(Cl)c1)c2=O
Show InChI InChI=1S/C25H25ClN4O3S/c1-29(15-22(31)17-6-4-8-27-12-17)13-19-10-20-23(32)21(14-30(2)25(20)34-19)24(33)28-11-16-5-3-7-18(26)9-16/h3-10,12,14,22,31H,11,13,15H2,1-2H3,(H,28,33)
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n/an/a 160n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210614
PNG
(CHEMBL247357 | N-(4-chlorobenzyl)-2-(((2-hydroxy-2...)
Show SMILES CN(CC(O)c1cccs1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C24H24ClN3O3S2/c1-27(14-20(29)21-4-3-9-32-21)12-17-10-18-22(30)19(13-28(2)24(18)33-17)23(31)26-11-15-5-7-16(25)8-6-15/h3-10,13,20,29H,11-12,14H2,1-2H3,(H,26,31)
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n/an/a 175n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210592
PNG
(CHEMBL247956 | N-(4-chlorobenzyl)-2-(((2-(furan-2-...)
Show SMILES CCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN(C)CC(C)c3ccco3)sc12
Show InChI InChI=1S/C27H30ClN3O3S/c1-4-11-31-17-23(26(33)29-14-19-7-9-20(28)10-8-19)25(32)22-13-21(35-27(22)31)16-30(3)15-18(2)24-6-5-12-34-24/h5-10,12-13,17-18H,4,11,14-16H2,1-3H3,(H,29,33)
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n/an/a 180n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210619
PNG
(CHEMBL394970 | N-(4-chlorobenzyl)-7-ethyl-2-(((2-(...)
Show SMILES CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN(C)CC(C)c3ccco3)sc12
Show InChI InChI=1S/C26H28ClN3O3S/c1-4-30-16-22(25(32)28-13-18-7-9-19(27)10-8-18)24(31)21-12-20(34-26(21)30)15-29(3)14-17(2)23-6-5-11-33-23/h5-12,16-17H,4,13-15H2,1-3H3,(H,28,32)
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n/an/a 200n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210608
PNG
(CHEMBL246939 | N-(4-chlorobenzyl)-2-(((2-hydroxy-2...)
Show SMILES CN(CC(O)c1ccncc1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C25H25ClN4O3S/c1-29(15-22(31)17-7-9-27-10-8-17)13-19-11-20-23(32)21(14-30(2)25(20)34-19)24(33)28-12-16-3-5-18(26)6-4-16/h3-11,14,22,31H,12-13,15H2,1-2H3,(H,28,33)
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n/an/a 200n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (Human))		BDBM227589
PNG
(Radicicol)
Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1
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n/an/a<200n/an/an/an/an/an/a



RiboTargets Ltd

Curated by ChEMBL


Assay Description
Inhibition of ATP-ase activity in human colon tumor cell line (HCT116)

Bioorg Med Chem Lett 14: 325-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.11.011
BindingDB Entry DOI: 10.7270/Q2P55MX0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)		BDBM15361
PNG
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Show SMILES C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1
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n/an/a<200n/an/an/an/a7.437



Vernalis (R&D) Ltd



Assay Description
The HSP90 ATPase activity was determined by following the procedure of malachite green assay. The assay is based on quantitation of the green complex...

Chem Biol 11: 775-85 (2004)


Article DOI: 10.1016/j.chembiol.2004.03.033
BindingDB Entry DOI: 10.7270/Q2RX99BC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210603
PNG
(CHEMBL246524 | N-(3-chlorobenzyl)-2-(((2-(4-fluoro...)
Show SMILES CN(CC(O)c1ccc(F)cc1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1cccc(Cl)c1)c2=O
Show InChI InChI=1S/C26H25ClFN3O3S/c1-30(15-23(32)17-6-8-19(28)9-7-17)13-20-11-21-24(33)22(14-31(2)26(21)35-20)25(34)29-12-16-4-3-5-18(27)10-16/h3-11,14,23,32H,12-13,15H2,1-2H3,(H,29,34)
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n/an/a 203n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase catalytic subunit


(Human herpesvirus 1 (strain KOS) (HHV-1) (Human he...)		BDBM50251807
PNG
((R)-N-(4-chlorobenzyl)-2-(((2-(furan-2-yl)-2-hydro...)
Show SMILES CN(C[C@@H](O)c1ccco1)Cc1cc2c(o1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C24H24ClN3O5/c1-27(14-20(29)21-4-3-9-32-21)12-17-10-18-22(30)19(13-28(2)24(18)33-17)23(31)26-11-15-5-7-16(25)8-6-15/h3-10,13,20,29H,11-12,14H2,1-2H3,(H,26,31)/t20-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HSV1 DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 18: 3856-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.060
BindingDB Entry DOI: 10.7270/Q2RB75HB
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210600
PNG
(CHEMBL246523 | N-(4-fluorobenzyl)-2-(((2-(4-fluoro...)
Show SMILES CN(CC(O)c1ccc(F)cc1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(F)cc1)c2=O
Show InChI InChI=1S/C26H25F2N3O3S/c1-30(15-23(32)17-5-9-19(28)10-6-17)13-20-11-21-24(33)22(14-31(2)26(21)35-20)25(34)29-12-16-3-7-18(27)8-4-16/h3-11,14,23,32H,12-13,15H2,1-2H3,(H,29,34)
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n/an/a 220n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210607
PNG
(CHEMBL247750 | N-(4-chlorobenzyl)-2-(((2-hydroxy-2...)
Show SMILES CN(CC(O)c1nccs1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C23H23ClN4O3S2/c1-27(13-19(29)22-25-7-8-32-22)11-16-9-17-20(30)18(12-28(2)23(17)33-16)21(31)26-10-14-3-5-15(24)6-4-14/h3-9,12,19,29H,10-11,13H2,1-2H3,(H,26,31)
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n/an/a 235n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210602
PNG
(CHEMBL248160 | N-(4-chlorobenzyl)-2-(((2-(furan-2-...)
Show SMILES CC(CN(C)Cc1cc2c(s1)n(CCO)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)c1ccco1
Show InChI InChI=1S/C26H28ClN3O4S/c1-17(23-4-3-11-34-23)14-29(2)15-20-12-21-24(32)22(16-30(9-10-31)26(21)35-20)25(33)28-13-18-5-7-19(27)8-6-18/h3-8,11-12,16-17,31H,9-10,13-15H2,1-2H3,(H,28,33)
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n/an/a 240n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210591
PNG
(CHEMBL245293 | N-(4-chlorobenzyl)-2-((ethyl(2-hydr...)
Show SMILES CCN(CC(O)c1ccccc1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C27H28ClN3O3S/c1-3-31(17-24(32)19-7-5-4-6-8-19)15-21-13-22-25(33)23(16-30(2)27(22)35-21)26(34)29-14-18-9-11-20(28)12-10-18/h4-13,16,24,32H,3,14-15,17H2,1-2H3,(H,29,34)
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n/an/a 240n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210621
PNG
(CHEMBL395390 | N-(4-chlorobenzyl)-2-(((2-(furan-3-...)
Show SMILES CN(CC(O)c1ccoc1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C24H24ClN3O4S/c1-27(13-21(29)16-7-8-32-14-16)11-18-9-19-22(30)20(12-28(2)24(19)33-18)23(31)26-10-15-3-5-17(25)6-4-15/h3-9,12,14,21,29H,10-11,13H2,1-2H3,(H,26,31)
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n/an/a 250n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210618
PNG
(CHEMBL394971 | N-(4-chlorobenzyl)-2-(((2-(furan-2-...)
Show SMILES CC(CN(C)Cc1cc2c(s1)n(CCCO)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)c1ccco1
Show InChI InChI=1S/C27H30ClN3O4S/c1-18(24-5-3-12-35-24)15-30(2)16-21-13-22-25(33)23(17-31(10-4-11-32)27(22)36-21)26(34)29-14-19-6-8-20(28)9-7-19/h3,5-9,12-13,17-18,32H,4,10-11,14-16H2,1-2H3,(H,29,34)
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n/an/a 280n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210605
PNG
(CHEMBL247555 | N-(4-chlorobenzyl)-2-(((2-(4-cyanop...)
Show SMILES CN(CC(O)c1ccc(cc1)C#N)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C27H25ClN4O3S/c1-31(16-24(33)19-7-3-17(12-29)4-8-19)14-21-11-22-25(34)23(15-32(2)27(22)36-21)26(35)30-13-18-5-9-20(28)10-6-18/h3-11,15,24,33H,13-14,16H2,1-2H3,(H,30,35)
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n/an/a 315n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210593
PNG
(CHEMBL248159 | N-(4-chlorobenzyl)-2-(((2-(furan-2-...)
Show SMILES COCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN(C)CC(C)c3ccco3)sc12
Show InChI InChI=1S/C27H30ClN3O4S/c1-18(24-5-4-11-35-24)15-30(2)16-21-13-22-25(32)23(17-31(10-12-34-3)27(22)36-21)26(33)29-14-19-6-8-20(28)9-7-19/h4-9,11,13,17-18H,10,12,14-16H2,1-3H3,(H,29,33)
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n/an/a 350n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase catalytic subunit


(Human herpesvirus 1 (strain KOS) (HHV-1) (Human he...)		BDBM50251459
PNG
((R)-N-(4-chlorobenzyl)-2-(((2-hydroxy-2-(pyridin-2...)
Show SMILES CN(C[C@@H](O)c1ccccn1)Cc1cc2c(o1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C25H25ClN4O4/c1-29(15-22(31)21-5-3-4-10-27-21)13-18-11-19-23(32)20(14-30(2)25(19)34-18)24(33)28-12-16-6-8-17(26)9-7-16/h3-11,14,22,31H,12-13,15H2,1-2H3,(H,28,33)/t22-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HSV1 DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 18: 3856-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.060
BindingDB Entry DOI: 10.7270/Q2RB75HB
More data for this
Ligand-Target Pair
DNA polymerase catalytic subunit


(Human herpesvirus 1 (strain KOS) (HHV-1) (Human he...)		BDBM50090910
PNG
(3alpha,16,17,18-tetrahydroxyaphidicolone | 6,13-di...)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO
Show InChI InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
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n/an/a 438n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HSV1 DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 18: 3856-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.060
BindingDB Entry DOI: 10.7270/Q2RB75HB
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50090910
PNG
(3alpha,16,17,18-tetrahydroxyaphidicolone | 6,13-di...)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO
Show InChI InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
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n/an/a 487n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (Human))		BDBM20882
PNG
(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)
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n/an/a 600n/an/an/an/an/an/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 90 (Hsp90)


(Homo sapiens (Human))		BDBM50182707
PNG
(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)
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n/an/a 600n/an/an/an/an/an/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 90 (Hsp90)


(Homo sapiens (Human))		BDBM50182712
PNG
(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)
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n/an/a 740n/an/an/an/an/an/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
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210589
PNG
(CHEMBL247130 | N-(4-chlorobenzyl)-2-(morpholinomet...)
Show SMILES Oc1c(cnc2sc(CN3CCOCC3)cc12)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN3O3S/c21-14-3-1-13(2-4-14)10-22-19(26)17-11-23-20-16(18(17)25)9-15(28-20)12-24-5-7-27-8-6-24/h1-4,9,11H,5-8,10,12H2,(H,22,26)(H,23,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (Human))		BDBM50182712
PNG
(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)
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n/an/a 1.30E+3n/an/an/an/an/an/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
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210613
PNG
(CHEMBL391831 | N-(4-chlorobenzyl)-2-(((2-hydroxy-2...)
Show SMILES Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN(CCO)CC(O)c3ccccc3)sc12
Show InChI InChI=1S/C27H28ClN3O4S/c1-30-16-23(26(35)29-14-18-7-9-20(28)10-8-18)25(34)22-13-21(36-27(22)30)15-31(11-12-32)17-24(33)19-5-3-2-4-6-19/h2-10,13,16,24,32-33H,11-12,14-15,17H2,1H3,(H,29,35)
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n/an/a 1.58E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (Human))		BDBM50182715
PNG
(4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZE...)
Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCNCC1
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)
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n/an/a 2.00E+3n/an/an/an/an/an/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
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210597
PNG
(CHEMBL245698 | N-(4-chlorobenzyl)-2-(((2-hydroxy-2...)
Show SMILES CC(C)N(CC(O)c1ccccc1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C28H30ClN3O3S/c1-18(2)32(17-25(33)20-7-5-4-6-8-20)15-22-13-23-26(34)24(16-31(3)28(23)36-22)27(35)30-14-19-9-11-21(29)12-10-19/h4-13,16,18,25,33H,14-15,17H2,1-3H3,(H,30,35)
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n/an/a 2.04E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (Human))		BDBM50182700
PNG
(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)
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n/an/a 2.40E+3n/an/an/an/an/an/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 90 (Hsp90)


(Homo sapiens (Human))		BDBM20882
PNG
(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)
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n/an/a 2.50E+3n/an/an/an/an/an/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
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50011181
PNG
((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...)
Show SMILES OC(=O)P(O)(O)=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210604
PNG
((R)-N-(4-chlorobenzyl)-2-(((2-hydroxy-2-phenylethy...)
Show SMILES CN(C[C@H](O)c1ccccc1)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C26H26ClN3O3S/c1-29(16-23(31)18-6-4-3-5-7-18)14-20-12-21-24(32)22(15-30(2)26(21)34-20)25(33)28-13-17-8-10-19(27)11-9-17/h3-12,15,23,31H,13-14,16H2,1-2H3,(H,28,33)/t23-/m0/s1
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n/an/a 2.55E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HCMV DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 17: 3349-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.102
BindingDB Entry DOI: 10.7270/Q2HX1DHN
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (Human))		BDBM50182702
PNG
(4-chloro-6-(5-methyl-4-(piperazin-1-yl)-1H-pyrazol...)
Show SMILES Cc1[nH]nc(c1N1CCNCC1)-c1cc(Cl)c(O)cc1O
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)
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n/an/a 3.00E+3n/an/an/an/an/an/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 90 (Hsp90)


(Homo sapiens (Human))		BDBM50182707
PNG
(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)
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n/an/a 3.00E+3n/an/an/an/an/an/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
DNA polymerase catalytic subunit


(Human herpesvirus 1 (strain KOS) (HHV-1) (Human he...)		BDBM50370476
PNG
(Combivir | ZIDOVUDINE TRIPHOSPHATE)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of HSV1 DNA polymerase by scintillation proximity assay

Bioorg Med Chem Lett 18: 3856-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.060
BindingDB Entry DOI: 10.7270/Q2RB75HB
More data for this
Ligand-Target Pair
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