BDBM50400759 CHEMBL2204278

SMILES: O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCN(CC2)c2cc3scnc3cn2)c2ccccn2c1=O

InChI Key: InChIKey=LRIKGCLRMYSYQF-REWPJTCUSA-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 = 50400759   

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))	BDBM50400759 (CHEMBL2204278) Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCN(CC2)c2cc3scnc3cn2)c2ccccn2c1=O |r| Show InChI InChI=1S/C27H30N6O3S/c34-23-7-2-1-5-20(23)30-26(35)19-13-18(22-6-3-4-8-33(22)27(19)36)16-31-9-11-32(12-10-31)25-14-24-21(15-28-25)29-17-37-24/h3-4,6,8,13-15,17,20,23,34H,1-2,5,7,9-12,16H2,(H,30,35)/t20-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human ERG				ACS Med Chem Lett 3: 1070-1074 (2012) Article DOI: 10.1021/ml300280g BindingDB Entry DOI: 10.7270/Q2X34ZM6
					More data for this Ligand-Target Pair