BDBM50067364 CHEMBL3401816

SMILES: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O

InChI Key: InChIKey=XZEBFHCFALOIHZ-ZNBSHBAVSA-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 = 50067364   

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))	BDBM50067364 (CHEMBL3401816) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C31H21BrClN3O6S3/c32-23-9-3-19(4-10-23)17-27(29(37)34-45(41,42)26-15-13-25(14-16-26)36(39)40)35-30(38)28(44-31(35)43)18-20-1-5-21(6-2-20)22-7-11-24(33)12-8-22/h1-16,18,27H,17H2,(H,34,37)/b28-18-/t27-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50067364 (CHEMBL3401816) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C31H21BrClN3O6S3/c32-23-9-3-19(4-10-23)17-27(29(37)34-45(41,42)26-15-13-25(14-16-26)36(39)40)35-30(38)28(44-31(35)43)18-20-1-5-21(6-2-20)22-7-11-24(33)12-8-22/h1-16,18,27H,17H2,(H,34,37)/b28-18-/t27-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50067364 (CHEMBL3401816) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NC(=O)[C@H](Cc1ccc(Br)cc1)N1C(=S)S\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C31H21BrClN3O6S3/c32-23-9-3-19(4-10-23)17-27(29(37)34-45(41,42)26-15-13-25(14-16-26)36(39)40)35-30(38)28(44-31(35)43)18-20-1-5-21(6-2-20)22-7-11-24(33)12-8-22/h1-16,18,27H,17H2,(H,34,37)/b28-18-/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	710	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