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Target
Sequence
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Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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null
SMILES:
Cc1sc(cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1)C(=O)N[C@@H]1CCOC1
InChI Key:
Find this compound or compounds like it in BindingDB or PDB:
Substructure
Similarity at least:
must be >=0.5
Exact match
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found
4
hits for monomerid = 50559419
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Mitogen-activated protein kinase 14
(Homo sapiens (Human))
BDBM50559419
(CHEMBL4749547)
Show SMILES
Cc1sc(cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1)C(=O)N[C@@H]1CCOC1 |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>2.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of P38alpha (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00533
BindingDB Entry DOI:
10.7270/Q2KW5KRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10
(Homo sapiens (Human))
BDBM50559419
(CHEMBL4749547)
Show SMILES
Cc1sc(cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1)C(=O)N[C@@H]1CCOC1 |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
53
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of JNK3alpha1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00533
BindingDB Entry DOI:
10.7270/Q2KW5KRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8
(Homo sapiens (Human))
BDBM50559419
(CHEMBL4749547)
Show SMILES
Cc1sc(cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1)C(=O)N[C@@H]1CCOC1 |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7.30E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of JNK1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00533
BindingDB Entry DOI:
10.7270/Q2KW5KRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9
(Homo sapiens (Human))
BDBM50559419
(CHEMBL4749547)
Show SMILES
Cc1sc(cc1-n1cc(NC(=O)Nc2c(F)cccc2Cl)cn1)C(=O)N[C@@H]1CCOC1 |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.70E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of JNK2 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00533
BindingDB Entry DOI:
10.7270/Q2KW5KRN
More data for this
Ligand-Target Pair
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