BDBM50044 4-{[2-(phenylthio)acetyl]amino}phenyl acetate::MLS000063417::SMR000072806::[4-(2-phenylsulfanylethanoylamino)phenyl] ethanoate::[4-[(2-phenylsulfanylacetyl)amino]phenyl] acetate::acetic acid [4-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl] ester::acetic acid [4-[[2-(phenylthio)acetyl]amino]phenyl] ester::cid_891318

SMILES: CC(=O)Oc1ccc(NC(=O)CSc2ccccc2)cc1

InChI Key: InChIKey=YUBKZTXGSXBHSL-UHFFFAOYSA-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 = 50044   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50044 (4-{[2-(phenylthio)acetyl]amino}phenyl acetate | ML...) Show SMILES CC(=O)Oc1ccc(NC(=O)CSc2ccccc2)cc1 Show InChI InChI=1S/C16H15NO3S/c1-12(18)20-14-9-7-13(8-10-14)17-16(19)11-21-15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,17,19)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair