BDBM50544261 CHEMBL4636576

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

InChI Key: InChIKey=XOKPMQWAURQPOG-RCCKNPSSSA-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 = 50544261   

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))	BDBM50544261 (CHEMBL4636576) Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1)C(C)C Show InChI InChI=1S/C27H33FN4O/c1-5-31(6-2)14-12-29-25-17-24-22(16-23(25)28)27(33)32-13-11-21(26(32)30-24)15-19-7-9-20(10-8-19)18(3)4/h7-10,15-18,29H,5-6,11-14H2,1-4H3/b21-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.00E+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