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BDBM50544290 CHEMBL4640219

SMILES: CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CC(C)C)c(=O)c2cc1F

InChI Key: InChIKey=JQWUWRUEFUEGHN-NTCAYCPXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50544290   
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))		BDBM50544290
PNG
(CHEMBL4640219)
Show SMILES CCN(CC)CCCNc1cc2nc(\C=C\c3ccc(cc3)C(C)C)n(CC(C)C)c(=O)c2cc1F
Show InChI InChI=1S/C30H41FN4O/c1-7-34(8-2)17-9-16-32-28-19-27-25(18-26(28)31)30(36)35(20-21(3)4)29(33-27)15-12-23-10-13-24(14-11-23)22(5)6/h10-15,18-19,21-22,32H,7-9,16-17,20H2,1-6H3/b15-12+
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 3.60E+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