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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'RecQ-like DNA helicase BLM' and Ligand = 'BDBM50440531'   
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
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50440531
PNG
(CHEMBL2426168)
Show SMILES Fc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1C(F)(F)F
Show InChI InChI=1S/C15H9F4N5OS/c16-11-2-1-9(7-10(11)15(17,18)19)21-13(25)22-14-24-23-12(26-14)8-3-5-20-6-4-8/h1-7H,(H2,21,22,24,25)
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MCE
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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of BLM (unknown origin) by gel-based DNA unwinding assay


Bioorg Med Chem Lett 23: 5660-6 (2013)

Checked by Author
Article DOI: 10.1016/j.bmcl.2013.08.025
BindingDB Entry DOI: 10.7270/Q2KK9D78
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50440531
PNG
(CHEMBL2426168)
Show SMILES Fc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1C(F)(F)F
Show InChI InChI=1S/C15H9F4N5OS/c16-11-2-1-9(7-10(11)15(17,18)19)21-13(25)22-14-24-23-12(26-14)8-3-5-20-6-4-8/h1-7H,(H2,21,22,24,25)
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Article
PubMed
n/an/a 2.15E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in BLM helicase unwinding activity using...


J Med Chem 62: 3147-3162 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00083
BindingDB Entry DOI: 10.7270/Q22F7RQW
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50440531
PNG
(CHEMBL2426168)
Show SMILES Fc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1C(F)(F)F
Show InChI InChI=1S/C15H9F4N5OS/c16-11-2-1-9(7-10(11)15(17,18)19)21-13(25)22-14-24-23-12(26-14)8-3-5-20-6-4-8/h1-7H,(H2,21,22,24,25)
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CHEMBL
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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BLM helicase (unknown origin) binding to DNA


Bioorg Med Chem Lett 24: 3006-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.088
BindingDB Entry DOI: 10.7270/Q2NV9KW7
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50440531
PNG
(CHEMBL2426168)
Show SMILES Fc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1C(F)(F)F
Show InChI InChI=1S/C15H9F4N5OS/c16-11-2-1-9(7-10(11)15(17,18)19)21-13(25)22-14-24-23-12(26-14)8-3-5-20-6-4-8/h1-7H,(H2,21,22,24,25)
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Article
PubMed
n/an/a 3.48E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of 5'-biotin labeled duplex forked-DNA binding to BLM (unknown origin) assessed as increase in unbound DNA levels after 1 hr by ELISA


J Med Chem 62: 3147-3162 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00083
BindingDB Entry DOI: 10.7270/Q22F7RQW
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50440531
PNG
(CHEMBL2426168)
Show SMILES Fc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1C(F)(F)F
Show InChI InChI=1S/C15H9F4N5OS/c16-11-2-1-9(7-10(11)15(17,18)19)21-13(25)22-14-24-23-12(26-14)8-3-5-20-6-4-8/h1-7H,(H2,21,22,24,25)
PDB
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CHEMBL
MCE
PC cid
PC sid
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Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BLM helicase (unknown origin) assessed as branch migration activity


Bioorg Med Chem Lett 24: 3006-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.088
BindingDB Entry DOI: 10.7270/Q2NV9KW7
More data for this
Ligand-Target Pair