BDBM50362150 CHEMBL1940669

SMILES: [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1

InChI Key: InChIKey=XTYVWLNNUKIEBG-UHFFFAOYSA-N

Data: 3 KI

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 = 50362150   

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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50362150 (CHEMBL1940669) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-24-9-5-4-8-23(24)28(35)31-20-12-10-19(11-13-20)27(34)32-41(38,39)22-14-15-25(26(18-22)33(36)37)30-16-17-40-21-6-2-1-3-7-21/h1-15,18,30H,16-17H2,(H,31,35)(H,32,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 by competitive fluorescence polarization assay				Bioorg Med Chem Lett 22: 39-44 (2011) Article DOI: 10.1016/j.bmcl.2011.11.101 BindingDB Entry DOI: 10.7270/Q2MG7PX2
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50362150 (CHEMBL1940669) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-24-9-5-4-8-23(24)28(35)31-20-12-10-19(11-13-20)27(34)32-41(38,39)22-14-15-25(26(18-22)33(36)37)30-16-17-40-21-6-2-1-3-7-21/h1-15,18,30H,16-17H2,(H,31,35)(H,32,34)	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	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to Bcl-xL by competitive fluorescence polarization assay				Bioorg Med Chem Lett 22: 39-44 (2011) Article DOI: 10.1016/j.bmcl.2011.11.101 BindingDB Entry DOI: 10.7270/Q2MG7PX2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50362150 (CHEMBL1940669) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-24-9-5-4-8-23(24)28(35)31-20-12-10-19(11-13-20)27(34)32-41(38,39)22-14-15-25(26(18-22)33(36)37)30-16-17-40-21-6-2-1-3-7-21/h1-15,18,30H,16-17H2,(H,31,35)(H,32,34)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to Mcl-1 by competitive fluorescence polarization assay				Bioorg Med Chem Lett 22: 39-44 (2011) Article DOI: 10.1016/j.bmcl.2011.11.101 BindingDB Entry DOI: 10.7270/Q2MG7PX2
					More data for this Ligand-Target Pair