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Compile Data Set for Download or QSAR

Found 1946 hits with Last Name = 'sutton' and Initial = 'm'   
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342539
PNG
(2-(3-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-2-11(8-13)9-15-18-10-12-4-6-17-7-5-14(12)19-15/h1-3,8,10,17H,4-7,9H2
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84n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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160n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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167n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342547
PNG
(2-(3-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C16H19N3/c1-12-3-2-4-13(9-12)10-16-18-11-14-5-7-17-8-6-15(14)19-16/h2-4,9,11,17H,5-8,10H2,1H3
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244n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342548
PNG
(2-(2-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C16H19N3/c1-12-4-2-3-5-13(12)10-16-18-11-14-6-8-17-9-7-15(14)19-16/h2-5,11,17H,6-10H2,1H3
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305n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342544
PNG
(2-(3-(trifluoromethyl)benzyl)-6,7,8,9-tetrahydro-5...)
Show SMILES FC(F)(F)c1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-15-21-10-12-4-6-20-7-5-14(12)22-15/h1-3,8,10,20H,4-7,9H2
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308n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342549
PNG
(2-(4-fluorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Fc1ccc(Cc2ncc3CCNCCc3n2)cc1
Show InChI InChI=1S/C15H16FN3/c16-13-3-1-11(2-4-13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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470n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342545
PNG
(2-(2-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H16ClN3/c16-13-4-2-1-3-11(13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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1.85E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Sliding-clamp-loader large/small subunit


(Enterobacteria phage T4 (Bacteriophage T4))
BDBM36319
PNG
(5-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-4-3-8-5-9(15(17)18)1-2-10(8)14)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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4.80E+3 -30.4n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Complex of Sliding-clamp-loader large subunit [R175L] and Sliding-clamp-loader small subunit


(bacteriophage T4)
BDBM36324
PNG
(6-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-4-3-8-1-2-9(15(17)18)5-10(8)14)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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5.00E+3 -30.3n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Sliding-clamp-loader large/small subunit


(Enterobacteria phage T4 (Bacteriophage T4))
BDBM36324
PNG
(6-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-4-3-8-1-2-9(15(17)18)5-10(8)14)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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5.10E+3 -30.2n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
DNA polymerase III subunit tau


(Escherichia coli)
BDBM36322
PNG
(5-phenyl-indolyl- 2'-deoxyriboside triphosphat...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C19H22NO12P3/c21-17-11-19(30-18(17)12-29-34(25,26)32-35(27,28)31-33(22,23)24)20-9-8-15-10-14(6-7-16(15)20)13-4-2-1-3-5-13/h1-10,17-19,21H,11-12H2,(H,25,26)(H,27,28)(H2,22,23,24)/t17-,18+,19+/m0/s1
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7.50E+3 -30.4n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
DNA polymerase III subunit tau


(Escherichia coli)
BDBM36324
PNG
(6-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-4-3-8-1-2-9(15(17)18)5-10(8)14)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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8.10E+3 -30.2n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
DNA polymerase III subunit tau


(Escherichia coli)
BDBM36316
PNG
(5-ethyl-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(CC)ccc12
Show InChI InChI=1S/C15H22NO12P3/c1-2-10-3-4-12-11(7-10)5-6-16(12)15-8-13(17)14(26-15)9-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-7,13-15,17H,2,8-9H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/t13-,14+,15+/m0/s1
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9.00E+3 -30.0n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Complex of Sliding-clamp-loader large subunit [R175K] and Sliding-clamp-loader small subunit


(bacteriophage T4)
BDBM36324
PNG
(6-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-4-3-8-1-2-9(15(17)18)5-10(8)14)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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9.10E+3 -28.8n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Sliding-clamp-loader large/small subunit


(Enterobacteria phage T4 (Bacteriophage T4))
BDBM36321
PNG
(5-cyclohexene-indolyl- 2'-deoxyriboside tripho...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)C1=CCCCC1 |t:35|
Show InChI InChI=1S/C19H26NO12P3/c21-17-11-19(30-18(17)12-29-34(25,26)32-35(27,28)31-33(22,23)24)20-9-8-15-10-14(6-7-16(15)20)13-4-2-1-3-5-13/h4,6-10,17-19,21H,1-3,5,11-12H2,(H,25,26)(H,27,28)(H2,22,23,24)/t17-,18+,19+/m0/s1
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1.00E+4 -28.5n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Complex of Sliding-clamp-loader large subunit [R175L] and Sliding-clamp-loader small subunit


(bacteriophage T4)
BDBM36316
PNG
(5-ethyl-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(CC)ccc12
Show InChI InChI=1S/C15H22NO12P3/c1-2-10-3-4-12-11(7-10)5-6-16(12)15-8-13(17)14(26-15)9-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-7,13-15,17H,2,8-9H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/t13-,14+,15+/m0/s1
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1.10E+4 -28.3n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
DNA polymerase III subunit tau


(Escherichia coli)
BDBM36323
PNG
(4-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-5-4-8-9(14)2-1-3-10(8)15(17)18)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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1.11E+4 -29.4n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
DNA polymerase III subunit tau


(Escherichia coli)
BDBM36321
PNG
(5-cyclohexene-indolyl- 2'-deoxyriboside tripho...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)C1=CCCCC1 |t:35|
Show InChI InChI=1S/C19H26NO12P3/c21-17-11-19(30-18(17)12-29-34(25,26)32-35(27,28)31-33(22,23)24)20-9-8-15-10-14(6-7-16(15)20)13-4-2-1-3-5-13/h4,6-10,17-19,21H,1-3,5,11-12H2,(H,25,26)(H,27,28)(H2,22,23,24)/t17-,18+,19+/m0/s1
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1.18E+4 -29.3n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
DNA polymerase III subunit tau


(Escherichia coli)
BDBM36312
PNG
(ATP{gamma}S | adenosine 5'-O-(3-thiotriphospha...)
Show SMILES [H][C@@]1(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=S)OC(n2cnc3c(N)ncnc23)[C@]1([H])O
Show InChI InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4?,6-,7-,10?/m1/s1
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1.30E+4 -29.0n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Complex of Sliding-clamp-loader large subunit [R175K] and Sliding-clamp-loader small subunit


(bacteriophage T4)
BDBM36319
PNG
(5-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-4-3-8-5-9(15(17)18)1-2-10(8)14)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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1.38E+4 -27.7n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Complex of Sliding-clamp-loader large subunit [R175K] and Sliding-clamp-loader small subunit


(bacteriophage T4)
BDBM36312
PNG
(ATP{gamma}S | adenosine 5'-O-(3-thiotriphospha...)
Show SMILES [H][C@@]1(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=S)OC(n2cnc3c(N)ncnc23)[C@]1([H])O
Show InChI InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4?,6-,7-,10?/m1/s1
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1.40E+4 -27.7n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Complex of Sliding-clamp-loader large subunit [R175L] and Sliding-clamp-loader small subunit


(bacteriophage T4)
BDBM36319
PNG
(5-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-4-3-8-5-9(15(17)18)1-2-10(8)14)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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1.64E+4 -27.3n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559562
PNG
(CHEMBL4762834)
Show SMILES Cn1c(CNC(=O)C2(CC(O)=O)Cc3ccccc3C2)nc2ccccc12
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1.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
DNA polymerase III subunit tau


(Escherichia coli)
BDBM36319
PNG
(5-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-4-3-8-5-9(15(17)18)1-2-10(8)14)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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2.17E+4 -27.7n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
DNA polymerase III subunit tau


(Escherichia coli)
BDBM36320
PNG
(5-cyclohexyl-indolyl- 2'-deoxyriboside triphos...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)C1CCCCC1
Show InChI InChI=1S/C19H28NO12P3/c21-17-11-19(30-18(17)12-29-34(25,26)32-35(27,28)31-33(22,23)24)20-9-8-15-10-14(6-7-16(15)20)13-4-2-1-3-5-13/h6-10,13,17-19,21H,1-5,11-12H2,(H,25,26)(H,27,28)(H2,22,23,24)/t17-,18+,19+/m0/s1
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2.40E+4 -27.4n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Complex of Sliding-clamp-loader large subunit [R175K] and Sliding-clamp-loader small subunit


(bacteriophage T4)
BDBM36316
PNG
(5-ethyl-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(CC)ccc12
Show InChI InChI=1S/C15H22NO12P3/c1-2-10-3-4-12-11(7-10)5-6-16(12)15-8-13(17)14(26-15)9-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-7,13-15,17H,2,8-9H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/t13-,14+,15+/m0/s1
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2.52E+4 -26.2n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Complex of Sliding-clamp-loader large subunit [R175K] and Sliding-clamp-loader small subunit


(bacteriophage T4)
BDBM36317
PNG
(5-ethylene-indolyl- 2'-deoxyriboside triphosph...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(C=C)ccc12
Show InChI InChI=1S/C15H20NO12P3/c1-2-10-3-4-12-11(7-10)5-6-16(12)15-8-13(17)14(26-15)9-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-7,13-15,17H,1,8-9H2,(H,21,22)(H,23,24)(H2,18,19,20)/t13-,14+,15+/m0/s1
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2.62E+4 -26.2n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Sliding-clamp-loader large/small subunit


(Enterobacteria phage T4 (Bacteriophage T4))
BDBM36312
PNG
(ATP{gamma}S | adenosine 5'-O-(3-thiotriphospha...)
Show SMILES [H][C@@]1(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=S)OC(n2cnc3c(N)ncnc23)[C@]1([H])O
Show InChI InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4?,6-,7-,10?/m1/s1
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2.89E+4 -25.9n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
DNA polymerase III subunit tau


(Escherichia coli)
BDBM36317
PNG
(5-ethylene-indolyl- 2'-deoxyriboside triphosph...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(C=C)ccc12
Show InChI InChI=1S/C15H20NO12P3/c1-2-10-3-4-12-11(7-10)5-6-16(12)15-8-13(17)14(26-15)9-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-7,13-15,17H,1,8-9H2,(H,21,22)(H,23,24)(H2,18,19,20)/t13-,14+,15+/m0/s1
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3.00E+4 -26.9n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Complex of Sliding-clamp-loader large subunit [R175K] and Sliding-clamp-loader small subunit


(bacteriophage T4)
BDBM36323
PNG
(4-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-5-4-8-9(14)2-1-3-10(8)15(17)18)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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3.02E+4 -25.8n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559561
PNG
(CHEMBL4760006)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1coc2ccccc12
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3.13E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Complex of Sliding-clamp-loader large subunit [R175L] and Sliding-clamp-loader small subunit


(bacteriophage T4)
BDBM36312
PNG
(ATP{gamma}S | adenosine 5'-O-(3-thiotriphospha...)
Show SMILES [H][C@@]1(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=S)OC(n2cnc3c(N)ncnc23)[C@]1([H])O
Show InChI InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4?,6-,7-,10?/m1/s1
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3.32E+4 -25.6n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Complex of Sliding-clamp-loader large subunit [R175L] and Sliding-clamp-loader small subunit


(bacteriophage T4)
BDBM36317
PNG
(5-ethylene-indolyl- 2'-deoxyriboside triphosph...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(C=C)ccc12
Show InChI InChI=1S/C15H20NO12P3/c1-2-10-3-4-12-11(7-10)5-6-16(12)15-8-13(17)14(26-15)9-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-7,13-15,17H,1,8-9H2,(H,21,22)(H,23,24)(H2,18,19,20)/t13-,14+,15+/m0/s1
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3.40E+4 -25.5n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
DNA polymerase III subunit tau


(Escherichia coli)
BDBM36315
PNG
(5-fluoro-indolyl- 2'-deoxyriboside triphosphat...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(F)ccc12
Show InChI InChI=1S/C13H17FNO12P3/c14-9-1-2-10-8(5-9)3-4-15(10)13-6-11(16)12(25-13)7-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-5,11-13,16H,6-7H2,(H,20,21)(H,22,23)(H2,17,18,19)/t11-,12+,13+/m0/s1
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3.40E+4 -26.5n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Sliding-clamp-loader large/small subunit


(Enterobacteria phage T4 (Bacteriophage T4))
BDBM36323
PNG
(4-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-5-4-8-9(14)2-1-3-10(8)15(17)18)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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3.42E+4 -25.5n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Sliding-clamp-loader large/small subunit


(Enterobacteria phage T4 (Bacteriophage T4))
BDBM36318
PNG
(5-carboxylate-indolyl- 2'-deoxyriboside tripho...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C14H18NO14P3/c16-11-6-13(15-4-3-8-5-9(14(17)18)1-2-10(8)15)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,17,18)(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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3.70E+4 -25.3n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
DNA polymerase III subunit tau


(Escherichia coli)
BDBM36318
PNG
(5-carboxylate-indolyl- 2'-deoxyriboside tripho...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C14H18NO14P3/c16-11-6-13(15-4-3-8-5-9(14(17)18)1-2-10(8)15)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,17,18)(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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4.00E+4 -26.1n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Complex of Sliding-clamp-loader large subunit [R175K] and Sliding-clamp-loader small subunit


(bacteriophage T4)
BDBM36318
PNG
(5-carboxylate-indolyl- 2'-deoxyriboside tripho...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C14H18NO14P3/c16-11-6-13(15-4-3-8-5-9(14(17)18)1-2-10(8)15)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,17,18)(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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4.06E+4 -25.1n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559558
PNG
(CHEMBL4764936)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCCc1cc2ccccc2s1
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4.06E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Complex of Sliding-clamp-loader large subunit [R175L] and Sliding-clamp-loader small subunit


(bacteriophage T4)
BDBM36323
PNG
(4-nitro-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17N2O14P3/c16-11-6-13(14-5-4-8-9(14)2-1-3-10(8)15(17)18)27-12(11)7-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-5,11-13,16H,6-7H2,(H,22,23)(H,24,25)(H2,19,20,21)/t11-,12+,13+/m0/s1
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4.16E+4 -25.0n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Sliding-clamp-loader large/small subunit


(Enterobacteria phage T4 (Bacteriophage T4))
BDBM36322
PNG
(5-phenyl-indolyl- 2'-deoxyriboside triphosphat...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C19H22NO12P3/c21-17-11-19(30-18(17)12-29-34(25,26)32-35(27,28)31-33(22,23)24)20-9-8-15-10-14(6-7-16(15)20)13-4-2-1-3-5-13/h1-10,17-19,21H,11-12H2,(H,25,26)(H,27,28)(H2,22,23,24)/t17-,18+,19+/m0/s1
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4.20E+4 -25.0n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
DNA polymerase III subunit tau


(Escherichia coli)
BDBM36314
PNG
(5-amino-indolyl- 2'-deoxyriboside triphosphate...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(N)ccc12
Show InChI InChI=1S/C13H19N2O12P3/c14-9-1-2-10-8(5-9)3-4-15(10)13-6-11(16)12(25-13)7-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-5,11-13,16H,6-7,14H2,(H,20,21)(H,22,23)(H2,17,18,19)/t11-,12+,13+/m0/s1
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4.50E+4 -25.8n/an/an/an/an/a7.537



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Sliding-clamp-loader large/small subunit


(Enterobacteria phage T4 (Bacteriophage T4))
BDBM36320
PNG
(5-cyclohexyl-indolyl- 2'-deoxyriboside triphos...)
Show SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)C1CCCCC1
Show InChI InChI=1S/C19H28NO12P3/c21-17-11-19(30-18(17)12-29-34(25,26)32-35(27,28)31-33(22,23)24)20-9-8-15-10-14(6-7-16(15)20)13-4-2-1-3-5-13/h6-10,13,17-19,21H,1-5,11-12H2,(H,25,26)(H,27,28)(H2,22,23,24)/t17-,18+,19+/m0/s1
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4.75E+4 -24.7n/an/an/an/an/a7.525



Case Western Reserve University



Assay Description
ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured ...


ACS Chem Biol 5: 183-94 (2010)


Article DOI: 10.1021/cb900218c
BindingDB Entry DOI: 10.7270/Q26M356K
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559566
PNG
(CHEMBL4749721)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1cc2ccccc2s1
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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559567
PNG
(CHEMBL4760989)
Show SMILES C[C@@H](NC(=O)C1(CC(O)=O)Cc2ccccc2C1)c1cc2ccccc2o1 |r|
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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559568
PNG
(CHEMBL4748733)
Show SMILES C[C@H](NC(=O)C1(CC(O)=O)Cc2ccccc2C1)c1cc2ccccc2o1 |r|
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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559569
PNG
(CHEMBL4761199)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1cc2ccccc2o1
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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50559570
PNG
(CHEMBL4760832)
Show SMILES OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1ccccc1
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>5.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00554
BindingDB Entry DOI: 10.7270/Q2X63RNT
More data for this
Ligand-Target Pair
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