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BDBM50013858 CHEMBL3265291

SMILES: OC(=O)CSc1cc(NS(=O)(=O)c2cccc(Br)c2)c2ccccc2c1O

InChI Key: InChIKey=QRNTXTIRONJKOT-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 = 50013858   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013858
PNG
(CHEMBL3265291)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(Br)c2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-4-3-5-12(8-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-7-2-1-6-13(14)15/h1-9,20,23H,10H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.35E+3n/an/an/an/an/an/an/an/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))
BDBM50013858
PNG
(CHEMBL3265291)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(Br)c2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-4-3-5-12(8-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-7-2-1-6-13(14)15/h1-9,20,23H,10H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.68E+3n/an/an/an/an/an/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