BDBM50372179 CHEMBL402066

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

InChI Key: InChIKey=FQWGJMPNGZGJNH-WKAHBFOZSA-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 = 50372179   

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))	BDBM50372179 (CHEMBL402066) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C42H34Br2N2O7S4/c43-31-15-11-29(12-16-31)25-35-37(47)45(41(54)56-35)33(23-27-7-3-1-4-8-27)39(49)52-21-19-51-20-22-53-40(50)34(24-28-9-5-2-6-10-28)46-38(48)36(57-42(46)55)26-30-13-17-32(44)18-14-30/h1-18,25-26,33-34H,19-24H2/b35-25-,36-26-/t33-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90E+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))	BDBM50372179 (CHEMBL402066) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C42H34Br2N2O7S4/c43-31-15-11-29(12-16-31)25-35-37(47)45(41(54)56-35)33(23-27-7-3-1-4-8-27)39(49)52-21-19-51-20-22-53-40(50)34(24-28-9-5-2-6-10-28)46-38(48)36(57-42(46)55)26-30-13-17-32(44)18-14-30/h1-18,25-26,33-34H,19-24H2/b35-25-,36-26-/t33-,34-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+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))	BDBM50372179 (CHEMBL402066) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C42H34Br2N2O7S4/c43-31-15-11-29(12-16-31)25-35-37(47)45(41(54)56-35)33(23-27-7-3-1-4-8-27)39(49)52-21-19-51-20-22-53-40(50)34(24-28-9-5-2-6-10-28)46-38(48)36(57-42(46)55)26-30-13-17-32(44)18-14-30/h1-18,25-26,33-34H,19-24H2/b35-25-,36-26-/t33-,34-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	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