BDBM50254157 CHEMBL2424928

SMILES: O[C@@]1(CN2CCC(CC2)NCc2cc3OCCOc3cn2)Cn2c3c1c(F)cnc3ccc2=O

InChI Key: InChIKey=VJVBZXRLYHVXIQ-DEOSSOPVSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50254157   

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))	BDBM50254157 (CHEMBL2424928) Show SMILES O[C@@]1(CN2CCC(CC2)NCc2cc3OCCOc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r| Show InChI InChI=1S/C24H26FN5O4/c25-17-11-28-18-1-2-21(31)30-14-24(32,22(17)23(18)30)13-29-5-3-15(4-6-29)26-10-16-9-19-20(12-27-16)34-8-7-33-19/h1-2,9,11-12,15,26,32H,3-8,10,13-14H2/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu. Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 27: 3353-3358 (2017) Article DOI: 10.1016/j.bmcl.2017.06.009 BindingDB Entry DOI: 10.7270/Q21R6SZV
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50254157 (CHEMBL2424928) Show SMILES O[C@@]1(CN2CCC(CC2)NCc2cc3OCCOc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r| Show InChI InChI=1S/C24H26FN5O4/c25-17-11-28-18-1-2-21(31)30-14-24(32,22(17)23(18)30)13-29-5-3-15(4-6-29)26-10-16-9-19-20(12-27-16)34-8-7-33-19/h1-2,9,11-12,15,26,32H,3-8,10,13-14H2/t24-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG transfected in HEK293 cells by patch clamp assay				Bioorg Med Chem Lett 23: 5437-41 (2013) Article DOI: 10.1016/j.bmcl.2013.07.013 BindingDB Entry DOI: 10.7270/Q2X63QWJ
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50254157 (CHEMBL2424928) Show SMILES O[C@@]1(CN2CCC(CC2)NCc2cc3OCCOc3cn2)Cn2c3c1c(F)cnc3ccc2=O |r| Show InChI InChI=1S/C24H26FN5O4/c25-17-11-28-18-1-2-21(31)30-14-24(32,22(17)23(18)30)13-29-5-3-15(4-6-29)26-10-16-9-19-20(12-27-16)34-8-7-33-19/h1-2,9,11-12,15,26,32H,3-8,10,13-14H2/t24-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem Lett 23: 5437-41 (2013) Article DOI: 10.1016/j.bmcl.2013.07.013 BindingDB Entry DOI: 10.7270/Q2X63QWJ
					More data for this Ligand-Target Pair