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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Ki
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null
SMILES:
N(c1ccc2scnc2c1)c1ccnc2cc(ccc12)-c1ccccc1
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 = 50573632
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
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human))
BDBM50573632
(CHEMBL4876135)
Show SMILES
N(c1ccc2scnc2c1)c1ccnc2cc(ccc12)-c1ccccc1
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
16
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of VEGFR2 (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00156
BindingDB Entry DOI:
10.7270/Q21C21PV
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human))
BDBM50573632
(CHEMBL4876135)
Show SMILES
N(c1ccc2scnc2c1)c1ccnc2cc(ccc12)-c1ccccc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
16
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of RIP2 (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00156
BindingDB Entry DOI:
10.7270/Q21C21PV
More data for this
Ligand-Target Pair
TGF-beta receptor type-1
(Homo sapiens (Human))
BDBM50573632
(CHEMBL4876135)
Show SMILES
N(c1ccc2scnc2c1)c1ccnc2cc(ccc12)-c1ccccc1
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.50E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of ALK5 (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00156
BindingDB Entry DOI:
10.7270/Q21C21PV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor
(Homo sapiens (Human))
BDBM50573632
(CHEMBL4876135)
Show SMILES
N(c1ccc2scnc2c1)c1ccnc2cc(ccc12)-c1ccccc1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.50E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of EGFR (unknown origin)
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00156
BindingDB Entry DOI:
10.7270/Q21C21PV
More data for this
Ligand-Target Pair
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