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Compile Data Set for Download or QSAR

Found 7 hits of ki data for polymerid = 4358   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 -7.23n/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 -6.76n/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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PubMed
1.64E+4 -6.52n/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)
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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PubMed
3.32E+4 -6.11n/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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PubMed
3.40E+4 -6.09n/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)
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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PubMed
4.16E+4 -5.97n/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)
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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PubMed
<2.00E+5<-5.04n/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