BDBM50013844 CHEMBL3235886

SMILES: CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12

InChI Key: InChIKey=RTQIUNNFOWTICU-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 Kd

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 3 hits for monomerid = 50013844   

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))	BDBM50013844 (CHEMBL3235886) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C21H21NO5S2/c1-13(2)14-7-9-15(10-8-14)29(26,27)22-18-11-19(28-12-20(23)24)21(25)17-6-4-3-5-16(17)18/h3-11,13,22,25H,12H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+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
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50013844 (CHEMBL3235886) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C21H21NO5S2/c1-13(2)14-7-9-15(10-8-14)29(26,27)22-18-11-19(28-12-20(23)24)21(25)17-6-4-3-5-16(17)18/h3-11,13,22,25H,12H2,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...				J Med Chem 57: 1121-6 (2014) Article DOI: 10.1021/jm4017174 BindingDB Entry DOI: 10.7270/Q261139G
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50013844 (CHEMBL3235886) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C21H21NO5S2/c1-13(2)14-7-9-15(10-8-14)29(26,27)22-18-11-19(28-12-20(23)24)21(25)17-6-4-3-5-16(17)18/h3-11,13,22,25H,12H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	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