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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50006966   
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))
BDBM50505091
PNG
(CHEMBL4075790)
Show SMILES CCN(CC)CCCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H35FN4O/c1-5-32(6-2)14-7-13-30-26-18-25-23(17-24(26)29)28(34)33-15-12-22(27(33)31-25)16-20-8-10-21(11-9-20)19(3)4/h8-11,16-19,30H,5-7,12-15H2,1-4H3/b22-16+
PDB
MMDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 950n/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)
PDB
MMDB

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

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