BDBM50539069 CHEMBL4645626

SMILES: COc1cccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cc(SC)nc(SC)c2)c1F

InChI Key: InChIKey=SKZNZEIOWNHTPI-POURPWNDSA-N

Data: 1 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 1 hit for monomerid = 50539069   

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)	BDBM50539069 (CHEMBL4645626) Show SMILES COc1cccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cc(SC)nc(SC)c2)c1F |r| Show InChI InChI=1S/C30H33BrFN3O3S2/c1-35(2)13-12-30(36,19-16-25(39-5)34-26(17-19)40-6)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)38-4/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/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