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BDBM50544276 CHEMBL4646791

SMILES: CC(C)c1ccc(\C=C2/CCn3c2nc2cc(NCCNC(C)=O)c(F)cc2c3=O)cc1

InChI Key: InChIKey=WOSSLIVUMSABFR-XDHOZWIPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50544276   
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))		BDBM50544276
PNG
(CHEMBL4646791)
Show SMILES CC(C)c1ccc(\C=C2/CCn3c2nc2cc(NCCNC(C)=O)c(F)cc2c3=O)cc1
Show InChI InChI=1S/C25H27FN4O2/c1-15(2)18-6-4-17(5-7-18)12-19-8-11-30-24(19)29-22-14-23(28-10-9-27-16(3)31)21(26)13-20(22)25(30)32/h4-7,12-15,28H,8-11H2,1-3H3,(H,27,31)/b19-12+
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/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