BDBM50539053 CHEMBL4643771

SMILES: CCCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1)c1cc2cc(Br)ccc2nc1OC

InChI Key: InChIKey=QMRYMJHDLXNBRO-XLJNKUFUSA-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 = 50539053   

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)	BDBM50539053 (CHEMBL4643771) Show SMILES CCCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C32H38BrN3O4/c1-7-15-40-29-20-24(19-28(35-29)38-5)32(37,13-14-36(3)4)30(22-10-8-9-21(2)16-22)26-18-23-17-25(33)11-12-27(23)34-31(26)39-6/h8-12,16-20,30,37H,7,13-15H2,1-6H3/t30-,32-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair