BDBM50013878 CHEMBL3265309

SMILES: COC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O

InChI Key: InChIKey=QLSXXJFXFWMFJW-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 = 50013878   

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))	BDBM50013878 (CHEMBL3265309) Show SMILES COC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O Show InChI InChI=1S/C19H16BrNO5S2/c1-26-18(22)11-27-17-10-16(14-4-2-3-5-15(14)19(17)23)21-28(24,25)13-8-6-12(20)7-9-13/h2-10,21,23H,11H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.08E+3	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))	BDBM50013878 (CHEMBL3265309) Show SMILES COC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O Show InChI InChI=1S/C19H16BrNO5S2/c1-26-18(22)11-27-17-10-16(14-4-2-3-5-15(14)19(17)23)21-28(24,25)13-8-6-12(20)7-9-13/h2-10,21,23H,11H2,1H3	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	1.49E+4	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