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Compile Data Set for Download or QSAR

Found 11 hits of ec50 for UniProtKB: Q99683   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50212260
PNG
(CHEMBL3954836)
Show SMILES CC(C)Oc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1[C@H](C)CO |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 6.30n/an/an/an/a



Takeda Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2...


ACS Med Chem Lett 8: 316-320 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00481
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50212261
PNG
(CHEMBL3946139)
Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(OC[C@@H]3CN(C)CCO3)cc2C1=O |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 6.30n/an/an/an/a



Takeda Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2...


ACS Med Chem Lett 8: 316-320 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00481
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50212254
PNG
(CHEMBL3975466)
Show SMILES COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1[C@H](C)CO |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 13n/an/an/an/a



Takeda Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2...


ACS Med Chem Lett 8: 316-320 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00481
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50212256
PNG
(CHEMBL3966978)
Show SMILES COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 16n/an/an/an/a



Takeda Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2...


ACS Med Chem Lett 8: 316-320 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00481
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50212262
PNG
(CHEMBL3937245)
Show SMILES CC(C)Oc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 32n/an/an/an/a



Takeda Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2...


ACS Med Chem Lett 8: 316-320 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00481
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 60n/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase II.


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50237293
PNG
(CHEMBL4093878)
Show SMILES COCCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 65n/an/an/an/a



Takeda California Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50237289
PNG
(CHEMBL4086119)
Show SMILES COCCNc1ccnc(NC(=O)c2csc(n2)-c2nncn2C(C)C)c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 99n/an/an/an/a



Takeda California Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50237295
PNG
(CHEMBL4081134)
Show SMILES CC(C)n1cnnc1-c1nc(cs1)C(=O)Nc1cnn(c1)C1COC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 130n/an/an/an/a



Takeda California Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50237294
PNG
(CHEMBL4064613)
Show SMILES COCCOc1ccnc(NC(=O)c2csc(n2)-c2nncn2C(C)C)c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 140n/an/an/an/a



Takeda California Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50237290
PNG
(CHEMBL4084596)
Show SMILES CCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 600n/an/an/an/a



Takeda California Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
More data for this
Ligand-Target Pair