BDBM50194 4-(4-Mercapto-8-methoxy-2-methyl-quinolin-3-yl)-butan-2-one::4-(8-methoxy-2-methyl-4-sulfanylidene-1H-quinolin-3-yl)-2-butanone::4-(8-methoxy-2-methyl-4-sulfanylidene-1H-quinolin-3-yl)butan-2-one::4-(8-methoxy-2-methyl-4-thioxo-1H-quinolin-3-yl)butan-2-one::MLS000590395::SMR000217406::cid_868037

SMILES: COc1cccc2c(S)c(CCC(C)=O)c(C)nc12

InChI Key: InChIKey=GTIMIRXTVQAQKH-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 = 50194   

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))	BDBM50194 (4-(4-Mercapto-8-methoxy-2-methyl-quinolin-3-yl)-bu...) Show SMILES COc1cccc2c(S)c(CCC(C)=O)c(C)nc12 Show InChI InChI=1S/C15H17NO2S/c1-9(17)7-8-11-10(2)16-14-12(15(11)19)5-4-6-13(14)18-3/h4-6H,7-8H2,1-3H3,(H,16,19)	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