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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 = 'BDBM50013860'   
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))
BDBM50013860
PNG
(CHEMBL3265293)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cc3ccccc3s2)c2ccccc2c1O
Show InChI InChI=1S/C20H15NO5S3/c22-18(23)11-27-17-10-15(13-6-2-3-7-14(13)20(17)24)21-29(25,26)19-9-12-5-1-4-8-16(12)28-19/h1-10,21,24H,11H2,(H,22,23)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.54E+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))
BDBM50013860
PNG
(CHEMBL3265293)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cc3ccccc3s2)c2ccccc2c1O
Show InChI InChI=1S/C20H15NO5S3/c22-18(23)11-27-17-10-15(13-6-2-3-7-14(13)20(17)24)21-29(25,26)19-9-12-5-1-4-8-16(12)28-19/h1-10,21,24H,11H2,(H,22,23)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.50E+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