BDBM50544265 CHEMBL4634966

SMILES: CCCc1ccc(\C=C2/CCn3c2nc2cc(NCCN(CC)CC)c(F)cc2c3=O)cc1

InChI Key: InChIKey=BFSHGVSRFCTQMM-LTGZKZEYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50544265   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Bloom syndrome protein (Homo sapiens (Human))	BDBM50544265 (CHEMBL4634966) Show SMILES CCCc1ccc(\C=C2/CCn3c2nc2cc(NCCN(CC)CC)c(F)cc2c3=O)cc1 Show InChI InChI=1S/C27H33FN4O/c1-4-7-19-8-10-20(11-9-19)16-21-12-14-32-26(21)30-24-18-25(23(28)17-22(24)27(32)33)29-13-15-31(5-2)6-3/h8-11,16-18,29H,4-7,12-15H2,1-3H3/b21-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/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