BDBM50372174 CHEMBL256858

SMILES: Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1

InChI Key: InChIKey=WKKIQRBOXWIRFP-YBCXJFLXSA-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 = 50372174   

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-W (Homo sapiens (Human))	BDBM50372174 (CHEMBL256858) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C44H38Br2N2O8S4/c45-33-15-11-31(12-16-33)27-37-39(49)47(43(57)59-37)35(25-29-7-3-1-4-8-29)41(51)55-23-21-53-19-20-54-22-24-56-42(52)36(26-30-9-5-2-6-10-30)48-40(50)38(60-44(48)58)28-32-13-17-34(46)18-14-32/h1-18,27-28,35-36H,19-26H2/b37-27-,38-28-/t35-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.83E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-w				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl2-antagonist of cell death (BAD) (Homo sapiens (Human))	BDBM50372174 (CHEMBL256858) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C44H38Br2N2O8S4/c45-33-15-11-31(12-16-33)27-37-39(49)47(43(57)59-37)35(25-29-7-3-1-4-8-29)41(51)55-23-21-53-19-20-54-22-24-56-42(52)36(26-30-9-5-2-6-10-30)48-40(50)38(60-44(48)58)28-32-13-17-34(46)18-14-32/h1-18,27-28,35-36H,19-26H2/b37-27-,38-28-/t35-,36-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-Xl				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50372174 (CHEMBL256858) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C44H38Br2N2O8S4/c45-33-15-11-31(12-16-33)27-37-39(49)47(43(57)59-37)35(25-29-7-3-1-4-8-29)41(51)55-23-21-53-19-20-54-22-24-56-42(52)36(26-30-9-5-2-6-10-30)48-40(50)38(60-44(48)58)28-32-13-17-34(46)18-14-32/h1-18,27-28,35-36H,19-26H2/b37-27-,38-28-/t35-,36-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.61E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl2				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair