BDBM50544275 CHEMBL4632583

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

InChI Key: InChIKey=JMDPHCWIIZVEIN-CPNJWEJPSA-N

Data: 2 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 2 hits for monomerid = 50544275   

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))	BDBM50544275 (CHEMBL4632583) Show SMILES CC(C)c1ccc(\C=C2/CCn3c2nc2cc(NCCN(C)C)c(F)cc2c3=O)cc1 Show InChI InChI=1S/C25H29FN4O/c1-16(2)18-7-5-17(6-8-18)13-19-9-11-30-24(19)28-22-15-23(27-10-12-29(3)4)21(26)14-20(22)25(30)31/h5-8,13-16,27H,9-12H2,1-4H3/b19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of p...				J Med Chem 63: 9752-9772 (2020)
					More data for this Ligand-Target Pair
Bloom syndrome protein (Homo sapiens (Human))	BDBM50544275 (CHEMBL4632583) Show SMILES CC(C)c1ccc(\C=C2/CCn3c2nc2cc(NCCN(C)C)c(F)cc2c3=O)cc1 Show InChI InChI=1S/C25H29FN4O/c1-16(2)18-7-5-17(6-8-18)13-19-9-11-30-24(19)28-22-15-23(27-10-12-29(3)4)21(26)14-20(22)25(30)31/h5-8,13-16,27H,9-12H2,1-4H3/b19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.80E+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