BDBM50195318 CHEMBL3902269

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

InChI Key: InChIKey=SNSDYKQFGBFTKR-CXUHLZMHSA-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 = 50195318   

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))	BDBM50195318 (CHEMBL3902269) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C31H25F3N4O6S2/c32-31(33,34)23-6-4-5-21(19-23)9-16-29(39)36-24-12-10-22(11-13-24)30(40)37-46(43,44)26-14-15-27(28(20-26)38(41)42)35-17-18-45-25-7-2-1-3-8-25/h1-16,19-20,35H,17-18H2,(H,36,39)(H,37,40)/b16-9+	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	290	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))	BDBM50195318 (CHEMBL3902269) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C31H25F3N4O6S2/c32-31(33,34)23-6-4-5-21(19-23)9-16-29(39)36-24-12-10-22(11-13-24)30(40)37-46(43,44)26-14-15-27(28(20-26)38(41)42)35-17-18-45-25-7-2-1-3-8-25/h1-16,19-20,35H,17-18H2,(H,36,39)(H,37,40)/b16-9+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+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 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))	BDBM50195318 (CHEMBL3902269) Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)\C=C\c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C31H25F3N4O6S2/c32-31(33,34)23-6-4-5-21(19-23)9-16-29(39)36-24-12-10-22(11-13-24)30(40)37-46(43,44)26-14-15-27(28(20-26)38(41)42)35-17-18-45-25-7-2-1-3-8-25/h1-16,19-20,35H,17-18H2,(H,36,39)(H,37,40)/b16-9+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+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