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3 similar compounds to monomer 50334268

Compile data set for download or QSAR
Wt: 361.3
BDBM50402923
Wt: 375.4
BDBM50402924
Wt: 358.4
BDBM50402925

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50402923,50402924,50402925   
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
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50402923
PNG
(CHEMBL2205636)
Show SMILES CC(C)(O)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C20H19N5O2/c1-20(2,27)15-5-3-14(4-6-15)19(26)23-17-12-25-11-16(7-8-18(25)22-17)24-10-9-21-13-24/h3-13,27H,1-2H3,(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...


Bioorg Med Chem Lett 22: 7326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV
More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50402925
PNG
(CHEMBL2205634)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1cccc1
Show InChI InChI=1S/C22H22N4O/c1-22(2,3)17-8-6-16(7-9-17)21(27)24-19-15-26-14-18(10-11-20(26)23-19)25-12-4-5-13-25/h4-15H,1-3H3,(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...


Bioorg Med Chem Lett 22: 7326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV
More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50402924
PNG
(CHEMBL2205635)
Show SMILES CC(C)(CO)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O2/c1-21(2,13-27)16-5-3-15(4-6-16)20(28)24-18-12-26-11-17(7-8-19(26)23-18)25-10-9-22-14-25/h3-12,14,27H,13H2,1-2H3,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...


Bioorg Med Chem Lett 22: 7326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV
More data for this
Ligand-Target Pair