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BDBM50158179 CHEMBL3780070

SMILES: COc1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1

InChI Key: InChIKey=ZOTRJUGQJUBTPH-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50158179   
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))
BDBM50158179
PNG
(CHEMBL3780070)
Show SMILES COc1ccc(NS(=O)(=O)c2cc(C(O)=O)c(O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15NO6S/c1-25-12-8-6-11(7-9-12)19-26(23,24)16-10-15(18(21)22)17(20)14-5-3-2-4-13(14)16/h2-10,19-20H,1H3,(H,21,22)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.19E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Ba...


Eur J Med Chem 113: 273-92 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.006
BindingDB Entry DOI: 10.7270/Q2HX1FJH
More data for this
Ligand-Target Pair