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BDBM50408425 CHEMBL2092835

SMILES: Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1

InChI Key: InChIKey=MJSJIZBGQQEKDP-CHKWXVPMSA-N

Data: 9 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50408425   
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
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50408425
PNG
(CHEMBL2092835)
Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
PDB

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n/an/a 1.04E+4n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of DHBV DNA polymerase (duck hepatitis B virus)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50408425
PNG
(CHEMBL2092835)
Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of cellular DNA polymerase (alpha)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50408425
PNG
(CHEMBL2092835)
Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of cellular DNA polymerase (beta)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
More data for this
Ligand-Target Pair
DNA polymerase gamma subunit 1


(Homo sapiens (Human))
BDBM50408425
PNG
(CHEMBL2092835)
Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of cellular DNA polymerase (gamma)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50408425
PNG
(CHEMBL2092835)
Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of cellular DNA polymerase (beta)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50408425
PNG
(CHEMBL2092835)
Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
PDB

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n/an/a 800n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of DHBV DNA polymerase (duck hepatitis B virus)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
More data for this
Ligand-Target Pair
DNA polymerase gamma subunit 1


(Homo sapiens (Human))
BDBM50408425
PNG
(CHEMBL2092835)
Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of cellular DNA polymerase (gamma)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408425
PNG
(CHEMBL2092835)
Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of HIV-RT (HIV reverse transcriptase)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50408425
PNG
(CHEMBL2092835)
Show SMILES Nc1ccn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H15FN3O12P3/c10-5-3-8(13-2-1-7(11)12-9(13)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
PDB
MMDB

B.MOAD
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GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of HIV-RT (HIV reverse transcriptase)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
More data for this
Ligand-Target Pair