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PubMed code 17434304

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
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 catalytic subunit


(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 |w:3.3|
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 catalytic subunit


(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 catalytic subunit


(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 catalytic subunit


(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 catalytic subunit


(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 |w:3.3|
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 catalytic subunit


(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 |w:3.3|
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 catalytic subunit


(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 |w:3.3|
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 catalytic subunit


(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 |w:3.3|
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 catalytic subunit


(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 |w:3.3|
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 catalytic subunit


(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 |w:8.9|
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 catalytic subunit


(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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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 catalytic subunit


(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 |w:3.3|
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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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 catalytic subunit


(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 |w:3.3|
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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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 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 |w:3.3|
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 catalytic subunit


(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 |w:3.3|
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 catalytic subunit


(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 |w:3.3|
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 catalytic subunit


(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 |w:26.27|
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 catalytic subunit


(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 |w:25.26|
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 catalytic subunit


(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 |w:3.3|
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
DNA polymerase catalytic subunit


(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 |w:3.3|
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 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 |w:3.3|
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 catalytic subunit


(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 |w:3.3|
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 catalytic subunit


(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 |w:1.0|
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 catalytic subunit


(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 |w:4.4|
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 catalytic subunit


(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 |w:3.3|
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 catalytic subunit


(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 |w:1.0|
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 catalytic subunit


(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 |w:3.3|
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 catalytic subunit


(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 |w:27.28|
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 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 |r|
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
DNA polymerase catalytic subunit


(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
DNA polymerase catalytic subunit


(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 |w:26.27|
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
DNA polymerase catalytic subunit


(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 |w:5.5|
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
DNA polymerase catalytic subunit


(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 catalytic subunit


(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
DNA polymerase catalytic subunit


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210587
PNG
(CHEMBL395884 | N-(4-chlorobenzyl)-2-(((2-hydroxypr...)
Show SMILES CC(O)CN(C)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O |w:1.0|
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)
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n/an/a 3.53E+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 catalytic subunit


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210596
PNG
(CHEMBL248362 | N-(4-chlorobenzyl)-2-((2-hydroxy-2-...)
Show SMILES Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CNCC(O)c3ccccc3)sc12 |w:23.24|
Show InChI InChI=1S/C25H24ClN3O3S/c1-29-15-21(24(32)28-12-16-7-9-18(26)10-8-16)23(31)20-11-19(33-25(20)29)13-27-14-22(30)17-5-3-2-4-6-17/h2-11,15,22,27,30H,12-14H2,1H3,(H,28,32)
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n/an/a 8.40E+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 catalytic subunit


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210599
PNG
(CHEMBL392043 | N-(4-chlorobenzyl)-2-((cyclopropyl(...)
Show SMILES Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN(CC(O)c3ccccc3)C3CC3)sc12 |w:23.24|
Show InChI InChI=1S/C28H28ClN3O3S/c1-31-16-24(27(35)30-14-18-7-9-20(29)10-8-18)26(34)23-13-22(36-28(23)31)15-32(21-11-12-21)17-25(33)19-5-3-2-4-6-19/h2-10,13,16,21,25,33H,11-12,14-15,17H2,1H3,(H,30,35)
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n/an/a 8.90E+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 catalytic subunit


(Human cytomegalovirus (HCMV strain AD169) )		BDBM50210590
PNG
(CHEMBL247954 | N-(4-chlorobenzyl)-2-(((2-hydroxy-3...)
Show SMILES CC(C)C(O)CN(C)Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O |w:3.3|
Show InChI InChI=1S/C23H28ClN3O3S/c1-14(2)20(28)13-26(3)11-17-9-18-21(29)19(12-27(4)23(18)31-17)22(30)25-10-15-5-7-16(24)8-6-15/h5-9,12,14,20,28H,10-11,13H2,1-4H3,(H,25,30)
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n/an/a 1.75E+4n/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 cytomegalovirus (HCMV strain AD169) )		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 |r|
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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UniProtKB/SwissProt

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PubMed
n/an/a 2.21E+4n/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
* indicates data uncertainty>20%