BDBM50460277 CHEMBL4228012

SMILES: COc1cccc([C@H](c2cc3cc(Br)ccc3cc2OC)[C@@](O)(CCN(C)C)c2cccc3CCCc23)c1F

InChI Key: InChIKey=VJOPGSZOIVETBK-ZQWAWDFXSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50460277   

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)	BDBM50460277 (CHEMBL4228012) Show SMILES COc1cccc([C@H](c2cc3cc(Br)ccc3cc2OC)[C@@](O)(CCN(C)C)c2cccc3CCCc23)c1F |r| Show InChI InChI=1S/C33H35BrFNO3/c1-36(2)17-16-33(37,28-12-6-9-21-8-5-10-25(21)28)31(26-11-7-13-29(38-3)32(26)35)27-19-23-18-24(34)15-14-22(23)20-30(27)39-4/h6-7,9,11-15,18-20,31,37H,5,8,10,16-17H2,1-4H3/t31-,33-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair