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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 = 'BDBM50013866'   
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))
BDBM50013866
PNG
(CHEMBL3265298)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(F)cc2F)c2ccccc2c1O
Show InChI InChI=1S/C24H17F2NO5S2/c25-15-7-10-17(20(26)11-15)14-5-8-16(9-6-14)34(31,32)27-21-12-22(33-13-23(28)29)24(30)19-4-2-1-3-18(19)21/h1-12,27,30H,13H2,(H,28,29)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
240n/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))
BDBM50013866
PNG
(CHEMBL3265298)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(F)cc2F)c2ccccc2c1O
Show InChI InChI=1S/C24H17F2NO5S2/c25-15-7-10-17(20(26)11-15)14-5-8-16(9-6-14)34(31,32)27-21-12-22(33-13-23(28)29)24(30)19-4-2-1-3-18(19)21/h1-12,27,30H,13H2,(H,28,29)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 920n/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