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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50519055'   
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))
BDBM50519055
PNG
(CHEMBL4580279)
Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C23H21N3O3S/c1-2-18-19(15-9-6-10-16(27)12-15)20-21(24-13-25-22(20)30-18)26-17(23(28)29)11-14-7-4-3-5-8-14/h3-10,12-13,17,27H,2,11H2,1H3,(H,28,29)(H,24,25,26)/t17-/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Servier Research Institute of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...


J Med Chem 62: 6913-6924 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00134
BindingDB Entry DOI: 10.7270/Q2DZ0CPH
More data for this
Ligand-Target Pair