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Compile Data Set for Download or QSAR

Found 6 hits of ki for UniProtKB: P04053   
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
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50442248
PNG
(CHEMBL2441983)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccccc1F
Show InChI InChI=1S/C17H12FNO5/c18-14-4-2-1-3-13(14)16(22)10-7-11(19-9-10)5-6-12(20)8-15(21)17(23)24/h1-7,9,19H,8H2,(H,23,24)
PDB
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Article
PubMed
400n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human TdT using 3'-OH as substrate


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50442215
PNG
(CHEMBL2441974)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(O)cc2)c2ccccc12
Show InChI InChI=1S/C21H17NO5/c23-16-8-5-14(6-9-16)12-22-13-15(18-3-1-2-4-19(18)22)7-10-17(24)11-20(25)21(26)27/h1-10,13,23H,11-12H2,(H,26,27)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
450n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Competitive inhibition of human TdT using TTP as substrate


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50442215
PNG
(CHEMBL2441974)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cn(Cc2ccc(O)cc2)c2ccccc12
Show InChI InChI=1S/C21H17NO5/c23-16-8-5-14(6-9-16)12-22-13-15(18-3-1-2-4-19(18)22)7-10-17(24)11-20(25)21(26)27/h1-10,13,23H,11-12H2,(H,26,27)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
500n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human TdT using 3'-OH as substrate


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50442248
PNG
(CHEMBL2441983)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccccc1F
Show InChI InChI=1S/C17H12FNO5/c18-14-4-2-1-3-13(14)16(22)10-7-11(19-9-10)5-6-12(20)8-15(21)17(23)24/h1-7,9,19H,8H2,(H,23,24)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
500n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Competitive inhibition of human TdT using TTP as substrate


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50442209
PNG
(CHEMBL2441980)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H16N2O5/c1-2-27-20(26)18(24)10-17(23)8-7-16-9-15(12-22-16)19(25)14-5-3-13(11-21)4-6-14/h3-9,12,22H,2,10H2,1H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Competitive inhibition of human TdT using TTP as substrate


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens)
BDBM50442209
PNG
(CHEMBL2441980)
Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cc(c[nH]1)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H16N2O5/c1-2-27-20(26)18(24)10-17(23)8-7-16-9-15(12-22-16)19(25)14-5-3-13(11-21)4-6-14/h3-9,12,22H,2,10H2,1H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human TdT using 3'-OH as substrate


J Med Chem 56: 7431-41 (2013)


Article DOI: 10.1021/jm4010187
BindingDB Entry DOI: 10.7270/Q2H70H8G
More data for this
Ligand-Target Pair