BDBM50195315 CHEMBL3976674

SMILES: [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1

InChI Key: InChIKey=QGCMSMQORLMKPB-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 = 50195315   

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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50195315 (CHEMBL3976674) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C29H26N4O6S2/c34-28(19-21-7-3-1-4-8-21)31-23-13-11-22(12-14-23)29(35)32-41(38,39)25-15-16-26(27(20-25)33(36)37)30-17-18-40-24-9-5-2-6-10-24/h1-16,20,30H,17-19H2,(H,31,34)(H,32,35)	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	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50195315 (CHEMBL3976674) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C29H26N4O6S2/c34-28(19-21-7-3-1-4-8-21)31-23-13-11-22(12-14-23)29(35)32-41(38,39)25-15-16-26(27(20-25)33(36)37)30-17-18-40-24-9-5-2-6-10-24/h1-16,20,30H,17-19H2,(H,31,34)(H,32,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50195315 (CHEMBL3976674) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C29H26N4O6S2/c34-28(19-21-7-3-1-4-8-21)31-23-13-11-22(12-14-23)29(35)32-41(38,39)25-15-16-26(27(20-25)33(36)37)30-17-18-40-24-9-5-2-6-10-24/h1-16,20,30H,17-19H2,(H,31,34)(H,32,35)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 5207-5211 (2016) Article DOI: 10.1016/j.bmcl.2016.09.061 BindingDB Entry DOI: 10.7270/Q2PN97K9
					More data for this Ligand-Target Pair