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BDBM50544264 CHEMBL4649302

SMILES: CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=OFIFFLRKUCZKKC-CAPFRKAQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50544264   
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
Bloom syndrome protein


(Homo sapiens (Human))
BDBM50544264
PNG
(CHEMBL4649302)
Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H35FN4O/c1-6-32(7-2)15-13-30-25-18-24-22(17-23(25)29)27(34)33-14-12-20(26(33)31-24)16-19-8-10-21(11-9-19)28(3,4)5/h8-11,16-18,30H,6-7,12-15H2,1-5H3/b20-16+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PubMed
n/an/a 2.70E+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)

More data for this
Ligand-Target Pair