BDBM50067460 CHEMBL3401800

SMILES: [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1

InChI Key: InChIKey=WVYGCYJTGGCNTL-QWJUGSESSA-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 = 50067460   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50067460 (CHEMBL3401800) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C31H22BrN3O6S3/c32-24-14-8-20(9-15-24)18-27(29(36)33-44(40,41)26-4-2-1-3-5-26)34-30(37)28(43-31(34)42)19-21-6-10-22(11-7-21)23-12-16-25(17-13-23)35(38)39/h1-17,19,27H,18H2,(H,33,36)/b28-19-/t27-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067460 (CHEMBL3401800) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C31H22BrN3O6S3/c32-24-14-8-20(9-15-24)18-27(29(36)33-44(40,41)26-4-2-1-3-5-26)34-30(37)28(43-31(34)42)19-21-6-10-22(11-7-21)23-12-16-25(17-13-23)35(38)39/h1-17,19,27H,18H2,(H,33,36)/b28-19-/t27-/m0/s1	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	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50067460 (CHEMBL3401800) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccc(Br)cc3)C(=O)NS(=O)(=O)c3ccccc3)C2=O)cc1 |r| Show InChI InChI=1S/C31H22BrN3O6S3/c32-24-14-8-20(9-15-24)18-27(29(36)33-44(40,41)26-4-2-1-3-5-26)34-30(37)28(43-31(34)42)19-21-6-10-22(11-7-21)23-12-16-25(17-13-23)35(38)39/h1-17,19,27H,18H2,(H,33,36)/b28-19-/t27-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Bcl-2 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fl...				Bioorg Med Chem 23: 1994-2003 (2015) Article DOI: 10.1016/j.bmc.2015.03.024 BindingDB Entry DOI: 10.7270/Q2C24Z35
					More data for this Ligand-Target Pair