BDBM50362151 CHEMBL1940670

SMILES: [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1

InChI Key: InChIKey=NVSQVRFOVAFHAL-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 = 50362151   

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))	BDBM50362151 (CHEMBL1940670) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-21-6-4-5-20(17-21)27(34)31-22-11-9-19(10-12-22)28(35)32-41(38,39)24-13-14-25(26(18-24)33(36)37)30-15-16-40-23-7-2-1-3-8-23/h1-14,17-18,30H,15-16H2,(H,31,34)(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40E+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))	BDBM50362151 (CHEMBL1940670) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-21-6-4-5-20(17-21)27(34)31-22-11-9-19(10-12-22)28(35)32-41(38,39)24-13-14-25(26(18-24)33(36)37)30-15-16-40-23-7-2-1-3-8-23/h1-14,17-18,30H,15-16H2,(H,31,34)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.08E+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))	BDBM50362151 (CHEMBL1940670) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-21-6-4-5-20(17-21)27(34)31-22-11-9-19(10-12-22)28(35)32-41(38,39)24-13-14-25(26(18-24)33(36)37)30-15-16-40-23-7-2-1-3-8-23/h1-14,17-18,30H,15-16H2,(H,31,34)(H,32,35)	PDB MMDB NCI pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.09E+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 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