BDBM50082433 CHEMBL3422974

SMILES: Cc1cc(nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc12)S(C)(=O)=O

InChI Key: InChIKey=PTFLGBBOPKLEKM-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 = 50082433   

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))	BDBM50082433 (CHEMBL3422974) Show SMILES Cc1cc(nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc12)S(C)(=O)=O |(-1.33,-2.77,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.56,;5.26,14.05,;6.76,14.39,;7.21,15.87,;8.71,16.22,;9.76,15.09,;10.96,15.37,;9.31,13.62,;7.81,13.27,;7.37,11.8,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-4.02,1.54,;-5.09,2.16,;-5.09,.93,;-4.02,2.78,)| Show InChI InChI=1S/C27H31N5O5S/c1-17-13-22(38(2,34)35)32-24-18(6-12-28-23(17)24)5-7-27-10-8-26(9-11-27,16-37-27)29-14-19-3-4-20-25(30-19)31-21(33)15-36-20/h3-4,6,12-13,29H,5,7-11,14-16H2,1-2H3,(H,30,31,33)	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	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK499 binding to human ERG				Bioorg Med Chem Lett 25: 2409-15 (2015) Article DOI: 10.1016/j.bmcl.2015.04.002 BindingDB Entry DOI: 10.7270/Q2CN75MC
					More data for this Ligand-Target Pair