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Compile Data Set for Download or QSAR
Found
3
hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50371615'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
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Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human))
BDBM50371615
(CHEMBL270268)
Show SMILES
CC(C)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c(O)c1O
Show InChI
InChI=1S/C22H20O5/c1-13(2)17-12-18(21(25)22(26)20(17)24)19(23)14-8-10-16(11-9-14)27-15-6-4-3-5-7-15/h3-13,24-26H,1-2H3
PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
380
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
ChEMBL
Assay Description
Inhibition of human Mcl-1 protein by fluorescence polarization assay
J Med Chem
51:
717
-
20
(2008)
Article DOI:
10.1021/jm701358v
BindingDB Entry DOI:
10.7270/Q2JD4XNX
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human))
BDBM50371615
(CHEMBL270268)
Show SMILES
CC(C)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c(O)c1O
Show InChI
InChI=1S/C22H20O5/c1-13(2)17-12-18(21(25)22(26)20(17)24)19(23)14-8-10-16(11-9-14)27-15-6-4-3-5-7-15/h3-13,24-26H,1-2H3
PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
380
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Dalian University of Technology
Curated by
ChEMBL
Assay Description
Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay
Eur J Med Chem
59:
141
-
9
(2013)
Article DOI:
10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI:
10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human))
BDBM50371615
(CHEMBL270268)
Show SMILES
CC(C)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c(O)c1O
Show InChI
InChI=1S/C22H20O5/c1-13(2)17-12-18(21(25)22(26)20(17)24)19(23)14-8-10-16(11-9-14)27-15-6-4-3-5-7-15/h3-13,24-26H,1-2H3
PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
3.06E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
ChEMBL
Assay Description
Inhibition of human Mcl-1 protein by fluorescence polarization assay
J Med Chem
51:
717
-
20
(2008)
Article DOI:
10.1021/jm701358v
BindingDB Entry DOI:
10.7270/Q2JD4XNX
More data for this
Ligand-Target Pair