BDBM50013886 CHEMBL3260036

SMILES: COC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1OC

InChI Key: InChIKey=OMKBCMGEXLSXCV-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50013886   

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))	BDBM50013886 (CHEMBL3260036) Show SMILES COC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1OC Show InChI InChI=1S/C20H18BrNO5S2/c1-26-19(23)12-28-18-11-17(15-5-3-4-6-16(15)20(18)27-2)22-29(24,25)14-9-7-13(21)8-10-14/h3-11,22H,12H2,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...				J Med Chem 57: 4111-33 (2014) Article DOI: 10.1021/jm500010b BindingDB Entry DOI: 10.7270/Q20003NC
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50013886 (CHEMBL3260036) Show SMILES COC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1OC Show InChI InChI=1S/C20H18BrNO5S2/c1-26-19(23)12-28-18-11-17(15-5-3-4-6-16(15)20(18)27-2)22-29(24,25)14-9-7-13(21)8-10-14/h3-11,22H,12H2,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...				J Med Chem 57: 4111-33 (2014) Article DOI: 10.1021/jm500010b BindingDB Entry DOI: 10.7270/Q20003NC
					More data for this Ligand-Target Pair