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Target
Sequence
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IC50
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EC50
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ΔH°
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null
SMILES:
Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1
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
6
hits for monomerid = 50567687
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
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human))
BDBM50567687
(CHEMBL4865410)
Show SMILES
Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1
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
n/a
610
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113371
BindingDB Entry DOI:
10.7270/Q2ZG6X0K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8
(Homo sapiens (Human))
BDBM50567687
(CHEMBL4865410)
Show SMILES
Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1
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
n/a
140
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113371
BindingDB Entry DOI:
10.7270/Q2ZG6X0K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20
(Homo sapiens (Human))
BDBM50567687
(CHEMBL4865410)
Show SMILES
Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1
Show InChI
PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
9.5
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113371
BindingDB Entry DOI:
10.7270/Q2ZG6X0K
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4
(Homo sapiens (Human))
BDBM50567687
(CHEMBL4865410)
Show SMILES
Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
1.5
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113371
BindingDB Entry DOI:
10.7270/Q2ZG6X0K
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7
(Homo sapiens (Human))
BDBM50567687
(CHEMBL4865410)
Show SMILES
Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
5.00E+3
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113371
BindingDB Entry DOI:
10.7270/Q2ZG6X0K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 5
(Homo sapiens (Human))
BDBM50567687
(CHEMBL4865410)
Show SMILES
Nc1ccc(cc1)-c1cnc2[nH]nc(C(=O)c3c(F)ccc(NS(=O)(=O)Cc4ccccc4)c3F)c2c1
Show InChI
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
5.80
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113371
BindingDB Entry DOI:
10.7270/Q2ZG6X0K
More data for this
Ligand-Target Pair
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