BDBM50395396 CHEMBL2165066

SMILES: F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1

InChI Key: InChIKey=XELZYICHKGKZBS-VQTJNVASSA-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 = 50395396   

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))	BDBM50395396 (CHEMBL2165066) Show SMILES F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C25H25FN6O3/c26-19-14-31(9-10-32-21-11-16(12-27)1-2-17(21)3-6-24(32)34)8-7-20(19)28-13-18-4-5-22-25(29-18)30-23(33)15-35-22/h1-6,11,19-20,28H,7-10,13-15H2,(H,29,30,33)/t19-,20+/m0/s1	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	1.68E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
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