BDBM50539047 CHEMBL4641813

SMILES: CCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC

InChI Key: InChIKey=NLLLHDSWFRPABH-GRKNLSHJSA-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 = 50539047   

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)	BDBM50539047 (CHEMBL4641813) Show SMILES CCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C31H35BrFN3O5/c1-7-41-27-18-20(17-26(35-27)39-5)31(37,13-14-36(2)3)28(22-9-8-10-25(38-4)29(22)33)23-16-19-15-21(32)11-12-24(19)34-30(23)40-6/h8-12,15-18,28,37H,7,13-14H2,1-6H3/t28-,31-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+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