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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 = 'BDBM50544269'   
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))
BDBM50544269
PNG
(CHEMBL4642601)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1O)N(CC)CC
Show InChI InChI=1S/C28H36FN5O2/c1-5-32(6-2)14-12-30-25-18-24-22(17-23(25)29)28(36)34-13-11-20(27(34)31-24)15-19-9-10-21(16-26(19)35)33(7-3)8-4/h9-10,15-18,30,35H,5-8,11-14H2,1-4H3/b20-15+
PDB
MMDB

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B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+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))
BDBM50544269
PNG
(CHEMBL4642601)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1O)N(CC)CC
Show InChI InChI=1S/C28H36FN5O2/c1-5-32(6-2)14-12-30-25-18-24-22(17-23(25)29)28(36)34-13-11-20(27(34)31-24)15-19-9-10-21(16-26(19)35)33(7-3)8-4/h9-10,15-18,30,35H,5-8,11-14H2,1-4H3/b20-15+
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