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Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'trantor' and Initial = 'ge'   
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 alpha catalytic subunit


(Homo sapiens (Human))
BDBM50042445
PNG
(6-Methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahy...)
Show SMILES COc1ccc2CC[C@H]3C(C)(CCC[C@]3(C)c2c1)C(O)=O
Show InChI InChI=1S/C18H24O3/c1-17-9-4-10-18(2,16(19)20)15(17)8-6-12-5-7-13(21-3)11-14(12)17/h5,7,11,15H,4,6,8-10H2,1-3H3,(H,19,20)/t15-,17-,18?/m1/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50231344
PNG
(CHEMBL334214)
Show SMILES [H][C@]1(O)CC[C@]2(C)c3cc(OC)ccc3CC[C@@]2([H])[C@]1(C)CO
Show InChI InChI=1S/C18H26O3/c1-17-9-8-16(20)18(2,11-19)15(17)7-5-12-4-6-13(21-3)10-14(12)17/h4,6,10,15-16,19-20H,5,7-9,11H2,1-3H3/t15-,16+,17-,18+/m1/s1
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n/an/an/an/a<1n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50042454
PNG
(7-Formyl-6-hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES CC1(CCC[C@@]2(C)[C@H]1CCc1cc(C=O)c(O)cc21)C(O)=O
Show InChI InChI=1S/C18H22O4/c1-17-6-3-7-18(2,16(21)22)15(17)5-4-11-8-12(10-19)14(20)9-13(11)17/h8-10,15,20H,3-7H2,1-2H3,(H,21,22)/t15-,17-,18?/m1/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50042449
PNG
((2R,4aS)1,7-Bis-hydroxymethyl-1,4a-dimethyl-1,2,3,...)
Show SMILES CC1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CCc1cc(CO)c(O)cc21
Show InChI InChI=1S/C18H26O4/c1-17-6-5-16(22)18(2,10-20)15(17)4-3-11-7-12(9-19)14(21)8-13(11)17/h7-8,15-16,19-22H,3-6,9-10H2,1-2H3/t15-,16-,17-,18?/m1/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50042459
PNG
(1-Hydroxymethyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-...)
Show SMILES CC1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C17H24O3/c1-16-8-7-15(20)17(2,10-18)14(16)6-4-11-3-5-12(19)9-13(11)16/h3,5,9,14-15,18-20H,4,6-8,10H2,1-2H3/t14-,15-,16-,17?/m1/s1
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n/an/an/an/a 8.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50042447
PNG
((2S,4aS)1,7-Bis-hydroxymethyl-1,4a-dimethyl-1,2,3,...)
Show SMILES CC1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1CCc1cc(CO)c(O)cc21
Show InChI InChI=1S/C18H26O4/c1-17-6-5-16(22)18(2,10-20)15(17)4-3-11-7-12(9-19)14(21)8-13(11)17/h7-8,15-16,19-22H,3-6,9-10H2,1-2H3/t15-,16+,17-,18?/m1/s1
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n/an/an/an/a 7.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50042444
PNG
(6-Methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahy...)
Show SMILES COc1ccc2CC[C@H]3C(C)(N)CCC[C@]3(C)c2c1
Show InChI InChI=1S/C17H25NO/c1-16-9-4-10-17(2,18)15(16)8-6-12-5-7-13(19-3)11-14(12)16/h5,7,11,15H,4,6,8-10,18H2,1-3H3/t15-,16-,17?/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
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/an/an/a 2.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50042456
PNG
((8-Hydroxymethyl-3-methoxy-4b,8-dimethyl-4b,5,6,7,...)
Show SMILES COc1cc2c(CC[C@H]3C(C)(CO)CCC[C@]23C)cc1CO
Show InChI InChI=1S/C19H28O3/c1-18(12-21)7-4-8-19(2)15-10-16(22-3)14(11-20)9-13(15)5-6-17(18)19/h9-10,17,20-21H,4-8,11-12H2,1-3H3/t17-,18?,19+/m0/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50231384
PNG
(CHEMBL331025)
Show SMILES [H][C@@]12CCc3cc(CO)c(O)cc3[C@@]1(C)CCC[C@@]2(C)C(O)=O
Show InChI InChI=1S/C18H24O4/c1-17-6-3-7-18(2,16(21)22)15(17)5-4-11-8-12(10-19)14(20)9-13(11)17/h8-9,15,19-20H,3-7,10H2,1-2H3,(H,21,22)/t15-,17-,18-/m1/s1
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n/an/an/an/a<1n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50231345
PNG
(CHEMBL118970)
Show SMILES [H][C@@]12CCc3cc(CO)c(O)cc3[C@@]1(C)CCC[C@@]2(C)CO
Show InChI InChI=1S/C18H26O3/c1-17(11-20)6-3-7-18(2)14-9-15(21)13(10-19)8-12(14)4-5-16(17)18/h8-9,16,19-21H,3-7,10-11H2,1-2H3/t16-,17-,18+/m0/s1
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n/an/an/an/a<1n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50231383
PNG
(CHEMBL334229)
Show SMILES [H][C@]1(O)CC[C@]2(C)c3cc(O)ccc3CC[C@@]2([H])[C@]1(C)CO
Show InChI InChI=1S/C17H24O3/c1-16-8-7-15(20)17(2,10-18)14(16)6-4-11-3-5-12(19)9-13(11)16/h3,5,9,14-15,18-20H,4,6-8,10H2,1-2H3/t14-,15+,16-,17+/m1/s1
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n/an/an/an/a<1n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50231386
PNG
(CHEMBL331553)
Show SMILES [H][C@@]12CCc3cc(CO)c(OC)cc3[C@@]1(C)CCC[C@@]2(C)C(=O)OC
Show InChI InChI=1S/C20H28O4/c1-19-8-5-9-20(2,18(22)24-4)17(19)7-6-13-10-14(12-21)16(23-3)11-15(13)19/h10-11,17,21H,5-9,12H2,1-4H3/t17-,19-,20-/m1/s1
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n/an/an/an/a<1n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50231388
PNG
(CHEMBL119211)
Show SMILES [H][C@@]1(O)CC[C@]2(C)c3cc(OC)ccc3CC[C@@]2([H])[C@]1(C)CO
Show InChI InChI=1S/C18H26O3/c1-17-9-8-16(20)18(2,11-19)15(17)7-5-12-4-6-13(21-3)10-14(12)17/h4,6,10,15-16,19-20H,5,7-9,11H2,1-3H3/t15-,16-,17-,18+/m1/s1
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n/an/an/an/a<1n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50231343
PNG
(CHEMBL119038)
Show SMILES [H][C@@]12CCc3cc(CO)c(OC)cc3[C@@]1(C)CCC[C@@]2(C)C(O)=O
Show InChI InChI=1S/C19H26O4/c1-18-7-4-8-19(2,17(21)22)16(18)6-5-12-9-13(11-20)15(23-3)10-14(12)18/h9-10,16,20H,4-8,11H2,1-3H3,(H,21,22)/t16-,18-,19-/m1/s1
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n/an/an/an/a<1n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50042448
PNG
(7-Formyl-6-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,1...)
Show SMILES COC(=O)C1(C)CCC[C@@]2(C)[C@H]1CCc1cc(C=O)c(OC)cc21
Show InChI InChI=1S/C20H26O4/c1-19-8-5-9-20(2,18(22)24-4)17(19)7-6-13-10-14(12-21)16(23-3)11-15(13)19/h10-12,17H,5-9H2,1-4H3/t17-,19-,20?/m1/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against DNA polymerase alpha


J Med Chem 36: 3503-10 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2PXP
More data for this
Ligand-Target Pair