BDBM50195317 CHEMBL3926515

SMILES: COc1cccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)c1

InChI Key: InChIKey=JVHXRIVLIHFPMN-LICLKQGHSA-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 = 50195317   

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))	BDBM50195317 (CHEMBL3926515) Show SMILES COc1cccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C31H28N4O7S2/c1-42-25-7-5-6-22(20-25)10-17-30(36)33-24-13-11-23(12-14-24)31(37)34-44(40,41)27-15-16-28(29(21-27)35(38)39)32-18-19-43-26-8-3-2-4-9-26/h2-17,20-21,32H,18-19H2,1H3,(H,33,36)(H,34,37)/b17-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50195317 (CHEMBL3926515) Show SMILES COc1cccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C31H28N4O7S2/c1-42-25-7-5-6-22(20-25)10-17-30(36)33-24-13-11-23(12-14-24)31(37)34-44(40,41)27-15-16-28(29(21-27)35(38)39)32-18-19-43-26-8-3-2-4-9-26/h2-17,20-21,32H,18-19H2,1H3,(H,33,36)(H,34,37)/b17-10+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50195317 (CHEMBL3926515) Show SMILES COc1cccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C31H28N4O7S2/c1-42-25-7-5-6-22(20-25)10-17-30(36)33-24-13-11-23(12-14-24)31(37)34-44(40,41)27-15-16-28(29(21-27)35(38)39)32-18-19-43-26-8-3-2-4-9-26/h2-17,20-21,32H,18-19H2,1H3,(H,33,36)(H,34,37)/b17-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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