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Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with Target = 'DNA polymerase' AND taxid = 10360   
Target
(Institution)
LigandTarget
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


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222924
PNG
(US9315499, 6011)
Show SMILES COc1cc(N)nc2n(CC(=O)N(C)CC3(CO)COC3)c(=O)c(cc12)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClN5O6/c1-30(11-25(12-32)13-37-14-25)21(33)10-31-22-17(19(36-2)8-20(27)29-22)7-18(24(31)35)23(34)28-9-15-3-5-16(26)6-4-15/h3-8,32H,9-14H2,1-2H3,(H2,27,29)(H,28,34)
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222906
PNG
(US9315499, 4012)
Show SMILES CC1(C)CN(C1)C(=O)Cn1c2ncc(cc2cc(C(=O)NCc2ccc(Cl)cc2)c1=O)-c1nn[nH]n1
Show InChI InChI=1S/C24H23ClN8O3/c1-24(2)12-32(13-24)19(34)11-33-21-15(7-16(10-26-21)20-28-30-31-29-20)8-18(23(33)36)22(35)27-9-14-3-5-17(25)6-4-14/h3-8,10H,9,11-13H2,1-2H3,(H,27,35)(H,28,29,30,31)
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n/an/a 30n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222899
PNG
(US9315499, 3019)
Show SMILES CN(CC(O)=O)c1ccnc2n(CC(=O)N3CC(C)(C)C3)c(=O)c(cc12)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C26H28ClN5O5/c1-26(2)14-31(15-26)21(33)12-32-23-18(20(8-9-28-23)30(3)13-22(34)35)10-19(25(32)37)24(36)29-11-16-4-6-17(27)7-5-16/h4-10H,11-15H2,1-3H3,(H,29,36)(H,34,35)
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n/an/a 50n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222915
PNG
(US9315499, 4062)
Show SMILES Cn1cc(cn1)-c1cnc2n(CC(=O)N3CC(F)(CF)C3)c(=O)c(cc2c1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClF2N6O3/c1-33-11-19(10-32-33)18-6-17-7-21(24(37)31-8-16-2-4-20(27)5-3-16)25(38)35(23(17)30-9-18)12-22(36)34-14-26(29,13-28)15-34/h2-7,9-11H,8,12-15H2,1H3,(H,31,37)
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n/an/a 59n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

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


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222903
PNG
(US9315499, 3038)
Show SMILES CC1(C)CN(C1)C(=O)Cn1c2nccc(OC[C@@H]3CCC(=O)N3)c2cc(C(=O)NCc2ccc(Cl)cc2)c1=O
Show InChI InChI=1/C28H30ClN5O5/c1-28(2)15-33(16-28)24(36)13-34-25-20(22(9-10-30-25)39-14-19-7-8-23(35)32-19)11-21(27(34)38)26(37)31-12-17-3-5-18(29)6-4-17/h3-6,9-11,19H,7-8,12-16H2,1-2H3,(H,31,37)(H,32,35)/t19-/s2
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n/an/a 62n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

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


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222909
PNG
(US9315499, 4020)
Show SMILES Cn1nccc1Cc1cnc2n(CC(=O)N3CC(C)(C)C3)c(=O)c(cc2c1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C28H29ClN6O3/c1-28(2)16-34(17-28)24(36)15-35-25-20(10-19(14-30-25)11-22-8-9-32-33(22)3)12-23(27(35)38)26(37)31-13-18-4-6-21(29)7-5-18/h4-10,12,14H,11,13,15-17H2,1-3H3,(H,31,37)
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n/an/a 65n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222905
PNG
(US9315499, 4005)
Show SMILES CC1(C)CN(C1)C(=O)Cn1c2ncc(cc2cc(C(=O)NCc2ccc(Cl)cc2)c1=O)C(=O)NCc1cnccn1
Show InChI InChI=1S/C29H28ClN7O4/c1-29(2)16-36(17-29)24(38)15-37-25-19(9-20(12-33-25)26(39)35-14-22-13-31-7-8-32-22)10-23(28(37)41)27(40)34-11-18-3-5-21(30)6-4-18/h3-10,12-13H,11,14-17H2,1-2H3,(H,34,40)(H,35,39)
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n/an/a 65n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

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


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222901
PNG
(US9315499, 3027)
Show SMILES CC1(C)CN(C1)C(=O)Cn1c2nccc(-c3cnc(N)nc3)c2cc(C(=O)NCc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H26ClN7O3/c1-27(2)14-34(15-27)22(36)13-35-23-20(19(7-8-30-23)17-11-32-26(29)33-12-17)9-21(25(35)38)24(37)31-10-16-3-5-18(28)6-4-16/h3-9,11-12H,10,13-15H2,1-2H3,(H,31,37)(H2,29,32,33)
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n/an/a 71n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222910
PNG
(US9315499, 4024)
Show SMILES CC1(C)CN(C1)C(=O)Cn1c2ncc(CN3CCNC(C3)C(F)(F)F)cc2cc(C(=O)NCc2ccc(Cl)cc2)c1=O
Show InChI InChI=1/C29H32ClF3N6O3/c1-28(2)16-38(17-28)24(40)15-39-25-20(9-19(12-35-25)13-37-8-7-34-23(14-37)29(31,32)33)10-22(27(39)42)26(41)36-11-18-3-5-21(30)6-4-18/h3-6,9-10,12,23,34H,7-8,11,13-17H2,1-2H3,(H,36,41)
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n/an/a 74n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222926
PNG
(US9315499, 6017)
Show SMILES Cn1cnc(c1)-c1cc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N3CC(C)(F)C3)c2nc1N
Show InChI InChI=1S/C26H25ClFN7O3/c1-26(28)12-34(13-26)21(36)11-35-23-16(7-18(22(29)32-23)20-10-33(2)14-31-20)8-19(25(35)38)24(37)30-9-15-3-5-17(27)6-4-15/h3-8,10,14H,9,11-13H2,1-2H3,(H2,29,32)(H,30,37)
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n/an/a 77n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

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


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222928
PNG
(US9315499, 6022)
Show SMILES Nc1c(Br)cnc2n(CC(=O)N3CCC(CO)C3)c(=O)c(cc12)C(=O)NCc1ccc(Cl)oc1
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n/an/a 83n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

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


Citation and Details
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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222925
PNG
(US9315499, 6012)
Show SMILES Cn1cc(cn1)-c1cc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N3CC(C)(O)C3)c2nc1N
Show InChI InChI=1S/C26H26ClN7O4/c1-26(38)13-33(14-26)21(35)12-34-23-16(7-19(22(28)31-23)17-10-30-32(2)11-17)8-20(25(34)37)24(36)29-9-15-3-5-18(27)6-4-15/h3-8,10-11,38H,9,12-14H2,1-2H3,(H2,28,31)(H,29,36)
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n/an/a 110n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222922
PNG
(US9315499, 6005)
Show SMILES CC1CN(C1)C(=O)Cn1c2ncc(-c3cnn(C)c3)c(-c3cnc(N)nc3)c2cc(C(=O)NCc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C30H28ClN9O3/c1-17-13-39(14-17)25(41)16-40-27-22(7-23(29(40)43)28(42)34-8-18-3-5-21(31)6-4-18)26(19-9-35-30(32)36-10-19)24(12-33-27)20-11-37-38(2)15-20/h3-7,9-12,15,17H,8,13-14,16H2,1-2H3,(H,34,42)(H2,32,35,36)
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n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222919
PNG
(US9315499, 5015)
Show SMILES CNc1ccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)n(CC(=O)N3CC(C)(O)C3)c2n1
Show InChI InChI=1S/C23H24ClN5O4/c1-23(33)12-28(13-23)19(30)11-29-20-15(5-8-18(25-2)27-20)9-17(22(29)32)21(31)26-10-14-3-6-16(24)7-4-14/h3-9,33H,10-13H2,1-2H3,(H,25,27)(H,26,31)
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n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222911
PNG
(US9315499, 4034)
Show SMILES Cn1cnc(c1)-c1cnc2n(CC(=O)N3CC(C)(F)C3)c(=O)c(cc2c1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C26H24ClFN6O3/c1-26(28)13-33(14-26)22(35)12-34-23-17(7-18(10-29-23)21-11-32(2)15-31-21)8-20(25(34)37)24(36)30-9-16-3-5-19(27)6-4-16/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,30,36)
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n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222913
PNG
(US9315499, 4040)
Show SMILES Cc1nc(cn1C)-c1cnc2n(CC(=O)N3CC(C)(C)C3)c(=O)c(cc2c1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C28H29ClN6O3/c1-17-32-23(13-33(17)4)20-9-19-10-22(26(37)31-11-18-5-7-21(29)8-6-18)27(38)35(25(19)30-12-20)14-24(36)34-15-28(2,3)16-34/h5-10,12-13H,11,14-16H2,1-4H3,(H,31,37)
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n/an/a 130n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222921
PNG
(US9315499, 6003)
Show SMILES COc1c(cnc2n(CC(=O)N3CCC(CO)C3)c(=O)c(cc12)C(=O)NCc1ccc(Cl)cc1)-c1cnn(C)c1
Show InChI InChI=1/C28H29ClN6O5/c1-33-14-19(11-32-33)23-12-30-26-21(25(23)40-2)9-22(27(38)31-10-17-3-5-20(29)6-4-17)28(39)35(26)15-24(37)34-8-7-18(13-34)16-36/h3-6,9,11-12,14,18,36H,7-8,10,13,15-16H2,1-2H3,(H,31,38)
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n/an/a 140n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222927
PNG
(US9315499, 6018)
Show SMILES CCn1cc(cn1)-c1c(O)cnc2n(CC(=O)N3CC(C)(C)C3)c(=O)c(cc12)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C28H29ClN6O4/c1-4-34-13-18(11-32-34)24-20-9-21(26(38)31-10-17-5-7-19(29)8-6-17)27(39)35(25(20)30-12-22(24)36)14-23(37)33-15-28(2,3)16-33/h5-9,11-13,36H,4,10,14-16H2,1-3H3,(H,31,38)
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n/an/a 160n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

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


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222914
PNG
(US9315499, 4056)
Show SMILES CC1CN(C1)C(=O)Cn1c2ncc(OCC3(CC3)C#N)cc2cc(C(=O)NCc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H26ClN5O4/c1-17-12-32(13-17)23(34)14-33-24-19(8-21(11-30-24)37-16-27(15-29)6-7-27)9-22(26(33)36)25(35)31-10-18-2-4-20(28)5-3-18/h2-5,8-9,11,17H,6-7,10,12-14,16H2,1H3,(H,31,35)
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n/an/a 170n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222923
PNG
(US9315499, 6008)
Show SMILES Cn1cc(cn1)-c1cnc2n(CC(=O)N3CC(C)(C)C3)c(=O)c(cc2c1N1CC(O)C1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H32ClN7O4/c1-30(2)16-37(17-30)25(40)15-38-27-22(8-23(29(38)42)28(41)33-9-18-4-6-20(31)7-5-18)26(36-13-21(39)14-36)24(11-32-27)19-10-34-35(3)12-19/h4-8,10-12,21,39H,9,13-17H2,1-3H3,(H,33,41)
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n/an/a 180n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222907
PNG
(US9315499, 4017)
Show SMILES Cc1cc(Nc2cnc3n(CC(=O)N4CC(C)(C)C4)c(=O)c(cc3c2)C(=O)NCc2ccc(Cl)cc2)n(C)n1
Show InChI InChI=1S/C28H30ClN7O3/c1-17-9-23(34(4)33-17)32-21-10-19-11-22(26(38)31-12-18-5-7-20(29)8-6-18)27(39)36(25(19)30-13-21)14-24(37)35-15-28(2,3)16-35/h5-11,13,32H,12,14-16H2,1-4H3,(H,31,38)
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n/an/a 180n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222908
PNG
(US9315499, 4018)
Show SMILES CC(=O)NC1CCN(C1)c1cnc2n(CC(=O)N3CC(C)(C)C3)c(=O)c(cc2c1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1/C29H33ClN6O4/c1-18(37)33-22-8-9-34(14-22)23-10-20-11-24(27(39)32-12-19-4-6-21(30)7-5-19)28(40)36(26(20)31-13-23)15-25(38)35-16-29(2,3)17-35/h4-7,10-11,13,22H,8-9,12,14-17H2,1-3H3,(H,32,39)(H,33,37)
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n/an/a 190n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222898
PNG
(US9315499, 3008)
Show SMILES COCCNc1ccnc2n(CC(=O)N3CC(C)(C)C3)c(=O)c(cc12)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C26H30ClN5O4/c1-26(2)15-31(16-26)22(33)14-32-23-19(21(8-9-29-23)28-10-11-36-3)12-20(25(32)35)24(34)30-13-17-4-6-18(27)7-5-17/h4-9,12H,10-11,13-16H2,1-3H3,(H,28,29)(H,30,34)
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n/an/a 200n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222902
PNG
(US9315499, 3034)
Show SMILES CC(C)c1ccnc2n(CC(=O)N3CC(C)(C)C3)c(=O)c(cc12)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C26H29ClN4O3/c1-16(2)19-9-10-28-23-20(19)11-21(24(33)29-12-17-5-7-18(27)8-6-17)25(34)31(23)13-22(32)30-14-26(3,4)15-30/h5-11,16H,12-15H2,1-4H3,(H,29,33)
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n/an/a 200n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222929
PNG
(US9315499, 7002)
Show SMILES NC(=O)[C@@H]1C[C@H](F)CN1C(=O)CCn1c2ncccc2cc(C(=O)NCc2ccc(Cl)cc2)c1=O
Show InChI InChI=1/C24H23ClFN5O4/c25-16-5-3-14(4-6-16)12-29-23(34)18-10-15-2-1-8-28-22(15)30(24(18)35)9-7-20(32)31-13-17(26)11-19(31)21(27)33/h1-6,8,10,17,19H,7,9,11-13H2,(H2,27,33)(H,29,34)/t17-,19-/s2
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n/an/a 210n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

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


Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase


(Human cytomegalovirus (HCMV strain AD169) )
BDBM222890
PNG
(US9315499, 1008)
Show SMILES CN(C1CC(O)C1)C(=O)Cn1c2ncccc2cc(C(=O)NCc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H23ClN4O4/c1-27(17-10-18(29)11-17)20(30)13-28-21-15(3-2-8-25-21)9-19(23(28)32)22(31)26-12-14-4-6-16(24)7-5-14/h2-9,17-18,29H,10-13H2,1H3,(H,26,31)
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n/an/a 220n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...


US Patent US9315499 (2016)

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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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