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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM52608'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM52608
PNG
(2-[4-[(4-ethylphenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C20H19NO5S2/c1-2-13-7-9-14(10-8-13)28(25,26)21-17-11-18(27-12-19(22)23)20(24)16-6-4-3-5-15(16)17/h3-11,21,24H,2,12H2,1H3,(H,22,23)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
1.55E+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))
BDBM52608
PNG
(2-[4-[(4-ethylphenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C20H19NO5S2/c1-2-13-7-9-14(10-8-13)28(25,26)21-17-11-18(27-12-19(22)23)20(24)16-6-4-3-5-15(16)17/h3-11,21,24H,2,12H2,1H3,(H,22,23)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.68E+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