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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 = 'BDBM50107130'   
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))
BDBM50107130
PNG
((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...)
Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 8.40E+4n/an/an/an/an/a



Institute of Chemical and Engineering Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human Mcl1 by isothermal titration calorimetry


J Med Chem 53: 2314-8 (2010)


Article DOI: 10.1021/jm901469p
BindingDB Entry DOI: 10.7270/Q2K937NJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50107130
PNG
((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...)
Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 4.40E+4n/an/an/an/an/a



Institute of Chemical and Engineering Sciences

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled Bak-BH3 peptide from human Mcl1 by fluorescence polarization assay


J Med Chem 53: 2314-8 (2010)


Article DOI: 10.1021/jm901469p
BindingDB Entry DOI: 10.7270/Q2K937NJ
More data for this
Ligand-Target Pair