BDBM50539060 CHEMBL4645820

SMILES: COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(ccc2nc1OC)C#N

InChI Key: InChIKey=IKLRGVKRRJLVGZ-DLFZDVPBSA-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 = 50539060   

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)	BDBM50539060 (CHEMBL4645820) Show SMILES COc1cc(cc(OC(F)F)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C31H31F3N4O5/c1-38(2)12-11-31(39,20-15-25(41-4)37-26(16-20)43-30(33)34)27(21-7-6-8-24(40-3)28(21)32)22-14-19-13-18(17-35)9-10-23(19)36-29(22)42-5/h6-10,13-16,27,30,39H,11-12H2,1-5H3/t27-,31-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.30E+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				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair