BDBM50013882 CHEMBL3265313

SMILES: Oc1c(SCc2nnn[nH]2)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12

InChI Key: InChIKey=LTKAYIDRSFYSMZ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50013882   

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))	BDBM50013882 (CHEMBL3265313) Show SMILES Oc1c(SCc2nnn[nH]2)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12 Show InChI InChI=1S/C18H14BrN5O3S2/c19-11-5-7-12(8-6-11)29(26,27)22-15-9-16(28-10-17-20-23-24-21-17)18(25)14-4-2-1-3-13(14)15/h1-9,22,25H,10H2,(H,20,21,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...				J Med Chem 57: 4111-33 (2014) Article DOI: 10.1021/jm500010b BindingDB Entry DOI: 10.7270/Q20003NC
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50013882 (CHEMBL3265313) Show SMILES Oc1c(SCc2nnn[nH]2)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12 Show InChI InChI=1S/C18H14BrN5O3S2/c19-11-5-7-12(8-6-11)29(26,27)22-15-9-16(28-10-17-20-23-24-21-17)18(25)14-4-2-1-3-13(14)15/h1-9,22,25H,10H2,(H,20,21,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Medical School Curated by ChEMBL					Assay Description Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...				J Med Chem 57: 4111-33 (2014) Article DOI: 10.1021/jm500010b BindingDB Entry DOI: 10.7270/Q20003NC
					More data for this Ligand-Target Pair