Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50036616 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50408425
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2FT8MQT |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50408426
(CHEMBL2092833)Show SMILES Cc1cn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H16FN2O13P3/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8H,2,4H2,1H3,(H,19,20)(H,21,22)(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2FT8MQT |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50408427
(CHEMBL483492)Show SMILES Cc1cn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)nc1N |r| Show InChI InChI=1S/C10H17FN3O12P3/c1-5-3-14(10(15)13-9(5)12)8-2-6(11)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8H,2,4H2,1H3,(H,19,20)(H,21,22)(H2,12,13,15)(H2,16,17,18)/t6-,7+,8+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2FT8MQT |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50408427
(CHEMBL483492)Show SMILES Cc1cn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)nc1N |r| Show InChI InChI=1S/C10H17FN3O12P3/c1-5-3-14(10(15)13-9(5)12)8-2-6(11)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8H,2,4H2,1H3,(H,19,20)(H,21,22)(H2,12,13,15)(H2,16,17,18)/t6-,7+,8+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2FT8MQT |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50408428
(CHEMBL2092834)Show SMILES OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H](C[C@H]1F)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H14FN2O13P3/c10-5-3-8(12-2-1-7(13)11-9(12)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)(H,11,13,14)(H2,15,16,17)/t5-,6+,8+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2FT8MQT |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50408426
(CHEMBL2092833)Show SMILES Cc1cn([C@@H]2C[C@@H](F)[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H16FN2O13P3/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8H,2,4H2,1H3,(H,19,20)(H,21,22)(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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
BindingDB Entry DOI: 10.7270/Q2FT8MQT |
More data for this
Ligand-Target Pair | |
Search and Browse
