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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'RecQ-like DNA helicase BLM' and Ligand = 'BDBM50544275'   
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))
BDBM50544275
PNG
(CHEMBL4632583)
Show SMILES CC(C)c1ccc(\C=C2/CCn3c2nc2cc(NCCN(C)C)c(F)cc2c3=O)cc1
Show InChI InChI=1S/C25H29FN4O/c1-16(2)18-7-5-17(6-8-18)13-19-9-11-30-24(19)28-22-15-23(27-10-12-29(3)4)21(26)14-20(22)25(30)31/h5-8,13-16,27H,9-12H2,1-4H3/b19-13+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwi...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair
RecQ-like DNA helicase BLM


(Homo sapiens (Human))
BDBM50544275
PNG
(CHEMBL4632583)
Show SMILES CC(C)c1ccc(\C=C2/CCn3c2nc2cc(NCCN(C)C)c(F)cc2c3=O)cc1
Show InChI InChI=1S/C25H29FN4O/c1-16(2)18-7-5-17(6-8-18)13-19-9-11-30-24(19)28-22-15-23(27-10-12-29(3)4)21(26)14-20(22)25(30)31/h5-8,13-16,27H,9-12H2,1-4H3/b19-13+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of p...


J Med Chem 63: 9752-9772 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00917
BindingDB Entry DOI: 10.7270/Q2CN77GD
More data for this
Ligand-Target Pair