BDBM50544269 CHEMBL4642601

SMILES: CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1O)N(CC)CC

InChI Key: InChIKey=CEKQGUFKTNPVPN-HMMYKYKNSA-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 = 50544269   

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))	BDBM50544269 (CHEMBL4642601) Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1O)N(CC)CC Show InChI InChI=1S/C28H36FN5O2/c1-5-32(6-2)14-12-30-25-18-24-22(17-23(25)29)28(36)34-13-11-20(27(34)31-24)15-19-9-10-21(16-26(19)35)33(7-3)8-4/h9-10,15-18,30,35H,5-8,11-14H2,1-4H3/b20-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+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))	BDBM50544269 (CHEMBL4642601) Show SMILES CCN(CC)CCNc1cc2nc3\C(CCn3c(=O)c2cc1F)=C\c1ccc(cc1O)N(CC)CC Show InChI InChI=1S/C28H36FN5O2/c1-5-32(6-2)14-12-30-25-18-24-22(17-23(25)29)28(36)34-13-11-20(27(34)31-24)15-19-9-10-21(16-26(19)35)33(7-3)8-4/h9-10,15-18,30,35H,5-8,11-14H2,1-4H3/b20-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.10E+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