BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50038427   
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 beta


(Homo sapiens (Human))
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of polymerase activity of DNA polymerase beta


Bioorg Med Chem 16: 4331-40 (2008)


Article DOI: 10.1016/j.bmc.2008.02.071
BindingDB Entry DOI: 10.7270/Q2FX7BB7
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.63E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of lyase activity of DNA polymerase beta


Bioorg Med Chem 16: 4331-40 (2008)


Article DOI: 10.1016/j.bmc.2008.02.071
BindingDB Entry DOI: 10.7270/Q2FX7BB7
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50237597
PNG
(7-hydroxy-3,7'-dicoumaryl ether | 7-hydroxy-3-(2-o...)
Show SMILES Oc1ccc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2c1
Show InChI InChI=1S/C18H10O6/c19-12-4-1-11-7-16(18(21)24-14(11)8-12)22-13-5-2-10-3-6-17(20)23-15(10)9-13/h1-9,19H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.14E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of polymerase activity of DNA polymerase beta


Bioorg Med Chem 16: 4331-40 (2008)


Article DOI: 10.1016/j.bmc.2008.02.071
BindingDB Entry DOI: 10.7270/Q2FX7BB7
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM23208
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.37E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of lyase activity of DNA polymerase beta


Bioorg Med Chem 16: 4331-40 (2008)


Article DOI: 10.1016/j.bmc.2008.02.071
BindingDB Entry DOI: 10.7270/Q2FX7BB7
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50237597
PNG
(7-hydroxy-3,7'-dicoumaryl ether | 7-hydroxy-3-(2-o...)
Show SMILES Oc1ccc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2c1
Show InChI InChI=1S/C18H10O6/c19-12-4-1-11-7-16(18(21)24-14(11)8-12)22-13-5-2-10-3-6-17(20)23-15(10)9-13/h1-9,19H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.89E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of lyase activity of DNA polymerase beta


Bioorg Med Chem 16: 4331-40 (2008)


Article DOI: 10.1016/j.bmc.2008.02.071
BindingDB Entry DOI: 10.7270/Q2FX7BB7
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM23208
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.63E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of polymerase activity of DNA polymerase beta


Bioorg Med Chem 16: 4331-40 (2008)


Article DOI: 10.1016/j.bmc.2008.02.071
BindingDB Entry DOI: 10.7270/Q2FX7BB7
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50376364
PNG
(STIGMASTEROL)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |r,t:13|
Show InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.03E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of lyase activity of DNA polymerase beta


Bioorg Med Chem 16: 4331-40 (2008)


Article DOI: 10.1016/j.bmc.2008.02.071
BindingDB Entry DOI: 10.7270/Q2FX7BB7
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50376364
PNG
(STIGMASTEROL)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |r,t:13|
Show InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of polymerase activity of DNA polymerase beta


Bioorg Med Chem 16: 4331-40 (2008)


Article DOI: 10.1016/j.bmc.2008.02.071
BindingDB Entry DOI: 10.7270/Q2FX7BB7
More data for this
Ligand-Target Pair