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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
Chemical Structure
Pathways
Source Organism
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Name
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/
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85%
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Seq ID
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Compile Data Set for Download or QSAR
Found
7
hits Enz. Inhib. hit(s) with all data for entry = 50019012
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Son of sevenless homolog 1
(Homo sapiens (Human))
BDBM50614629
(BAY-293)
Show SMILES
CNCc1ccccc1-c1csc(c1)[C@@H](C)Nc1nc(C)nc2cc(OC)c(OC)cc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
n/a
n/a
6.60
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
3D Structure (crystal)
Son of sevenless homolog 1
(Homo sapiens (Human))
BDBM50614625
(CHEMBL5290935)
Show SMILES
COc1cc2ncnc(NC(C)c3ccc(s3)-c3ccccc3CNCCO)c2cc1OC
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
8.5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Son of sevenless homolog 1
(Homo sapiens (Human))
BDBM50614624
(CHEMBL5280958)
Show SMILES
COc1cc2ncnc(NC(C)c3cc(cs3)-c3ccccc3CNCCO)c2cc1OC
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
18
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Son of sevenless homolog 1
(Homo sapiens (Human))
BDBM50614623
(CHEMBL5286756)
Show SMILES
CNCc1ccccc1-c1csc(c1)C(C)Nc1ncnc2cc(OC)c(OC)cc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Son of sevenless homolog 1
(Homo sapiens (Human))
BDBM50614626
(CHEMBL5278156)
Show SMILES
CNCc1ccccc1-c1csc(c1)C(C)Nc1nc(C)nc2cc3OCCOc3cc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
27
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Son of sevenless homolog 1
(Homo sapiens (Human))
BDBM50614627
(CHEMBL5284477)
Show SMILES
CC(Nc1nc(C)nc2cc3OCCOc3cc12)c1cc(cs1)-c1ccccc1CNCCO
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
45
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Son of sevenless homolog 1
(Homo sapiens (Human))
BDBM50614628
(CHEMBL5287441)
Show SMILES
CNCc1ccccc1-c1csc(c1)C(C)Nc1ncnc2cc3OCCOc3cc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
97
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
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