BDBM50013864 CHEMBL3265296

SMILES: OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O

InChI Key: InChIKey=RXYYPYDPEDTDSR-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 50013864   

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))	BDBM50013864 (CHEMBL3265296) Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-21-14-20(18-11-4-5-12-19(18)24(21)28)25-32(29,30)22-13-7-6-10-17(22)16-8-2-1-3-9-16/h1-14,25,28H,15H2,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.03E+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
BCL-W (Homo sapiens (Human))	BDBM50013864 (CHEMBL3265296) Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-21-14-20(18-11-4-5-12-19(18)24(21)28)25-32(29,30)22-13-7-6-10-17(22)16-8-2-1-3-9-16/h1-14,25,28H,15H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.41E+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 BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...				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
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50013864 (CHEMBL3265296) Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-21-14-20(18-11-4-5-12-19(18)24(21)28)25-32(29,30)22-13-7-6-10-17(22)16-8-2-1-3-9-16/h1-14,25,28H,15H2,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.73E+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 A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...				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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50013864 (CHEMBL3265296) Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-21-14-20(18-11-4-5-12-19(18)24(21)28)25-32(29,30)22-13-7-6-10-17(22)16-8-2-1-3-9-16/h1-14,25,28H,15H2,(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.38E+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 BCL2 (1 to 202) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...				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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50013864 (CHEMBL3265296) Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-21-14-20(18-11-4-5-12-19(18)24(21)28)25-32(29,30)22-13-7-6-10-17(22)16-8-2-1-3-9-16/h1-14,25,28H,15H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.82E+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 BCLX-L (1 to 209) (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))	BDBM50013864 (CHEMBL3265296) Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-21-14-20(18-11-4-5-12-19(18)24(21)28)25-32(29,30)22-13-7-6-10-17(22)16-8-2-1-3-9-16/h1-14,25,28H,15H2,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+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