Found 5 hits of Enzyme Inhibition Constant Data 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)) | BDBM50090910
(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 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DNA polymerase alpha |
Bioorg Med Chem Lett 20: 3039-42 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.115
BindingDB Entry DOI: 10.7270/Q2000281 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50318171
(2-{2-[bis(2-hydroxyethyl)amino]ethyl}-N-(4-chlorob...)Show SMILES OCCN(CCO)CCc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O Show InChI InChI=1S/C30H35ClN4O5/c31-24-3-1-21(2-4-24)18-32-30(39)27-20-35-25(5-6-33(7-11-36)8-12-37)17-23-15-22(16-26(28(23)35)29(27)38)19-34-9-13-40-14-10-34/h1-4,15-17,20,36-37H,5-14,18-19H2,(H,32,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DNA polymerase alpha |
Bioorg Med Chem Lett 20: 3039-42 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.115
BindingDB Entry DOI: 10.7270/Q2000281 |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50318172
(CHEMBL1095087 | N-(4-chlorobenzyl)-2-(2-morpholin-...)Show SMILES Clc1ccc(CNC(=O)c2cn3c(CCN4CCOCC4)cc4cc(CN5CCOCC5)cc(c34)c2=O)cc1 Show InChI InChI=1S/C30H33ClN4O4/c31-24-3-1-21(2-4-24)18-32-30(37)27-20-35-25(5-6-33-7-11-38-12-8-33)17-23-15-22(16-26(28(23)35)29(27)36)19-34-9-13-39-14-10-34/h1-4,15-17,20H,5-14,18-19H2,(H,32,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DNA polymerase alpha |
Bioorg Med Chem Lett 20: 3039-42 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.115
BindingDB Entry DOI: 10.7270/Q2000281 |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50318170
(CHEMBL1095387 | N-(4-Chlorobenzyl)-2-[(2-hydroxyet...)Show SMILES OCCOCc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O Show InChI InChI=1S/C27H28ClN3O5/c28-21-3-1-18(2-4-21)14-29-27(34)24-16-31-22(17-36-10-7-32)13-20-11-19(12-23(25(20)31)26(24)33)15-30-5-8-35-9-6-30/h1-4,11-13,16,32H,5-10,14-15,17H2,(H,29,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DNA polymerase alpha |
Bioorg Med Chem Lett 20: 3039-42 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.115
BindingDB Entry DOI: 10.7270/Q2000281 |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50318169
(CHEMBL1097364 | N-(4-chlorobenzyl)-2-(2-hydroxyeth...)Show SMILES OCCc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O Show InChI InChI=1S/C26H26ClN3O4/c27-20-3-1-17(2-4-20)14-28-26(33)23-16-30-21(5-8-31)13-19-11-18(12-22(24(19)30)25(23)32)15-29-6-9-34-10-7-29/h1-4,11-13,16,31H,5-10,14-15H2,(H,28,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human DNA polymerase alpha |
Bioorg Med Chem Lett 20: 3039-42 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.115
BindingDB Entry DOI: 10.7270/Q2000281 |
More data for this
Ligand-Target Pair | |
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