BDBM50465955 CHEMBL4293735

SMILES: CC(C)(C)c1ccc(CN2CCC3(CCCCO3)CC2)cc1

InChI Key: InChIKey=RXOPZUPBTAVBAJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50465955   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50465955 (CHEMBL4293735) Show SMILES CC(C)(C)c1ccc(CN2CCC3(CCCCO3)CC2)cc1 Show InChI InChI=1S/C20H31NO/c1-19(2,3)18-8-6-17(7-9-18)16-21-13-11-20(12-14-21)10-4-5-15-22-20/h6-9H,4-5,10-16H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-S1 cells by Qpatch clamp assay				J Med Chem 61: 11327-11340 (2018) Article DOI: 10.1021/acs.jmedchem.8b01533 BindingDB Entry DOI: 10.7270/Q2M61NW5
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50465955 (CHEMBL4293735) Show SMILES CC(C)(C)c1ccc(CN2CCC3(CCCCO3)CC2)cc1 Show InChI InChI=1S/C20H31NO/c1-19(2,3)18-8-6-17(7-9-18)16-21-13-11-20(12-14-21)10-4-5-15-22-20/h6-9H,4-5,10-16H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-S1 cells by automated planar chip-based electrophysiology				J Med Chem 61: 11327-11340 (2018) Article DOI: 10.1021/acs.jmedchem.8b01533 BindingDB Entry DOI: 10.7270/Q2M61NW5
					More data for this Ligand-Target Pair