BDBM50352062 CHEMBL1824045

SMILES: O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)-c4ccco4)CC3)nc2N1

InChI Key: InChIKey=BBYRVOHZWJHMHW-UHFFFAOYSA-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 = 50352062   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50352062 (CHEMBL1824045) Show SMILES O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)-c4ccco4)CC3)nc2N1 Show InChI InChI=1S/C27H29N5O5/c33-25-16-36-24-6-4-20(29-27(24)30-25)15-28-19-7-9-31(10-8-19)11-12-32-21-14-18(22-2-1-13-35-22)3-5-23(21)37-17-26(32)34/h1-6,13-14,19,28H,7-12,15-17H2,(H,29,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by electrophysiological assay				Bioorg Med Chem Lett 21: 5432-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.126 BindingDB Entry DOI: 10.7270/Q2JM2B0P
					More data for this Ligand-Target Pair