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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:
CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(nn2)-c2cn(C)nc2C(F)(F)F)c1C
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
5
hits for monomerid = 50576261
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
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human))
BDBM50576261
(CHEMBL4858923)
Show SMILES
CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(nn2)-c2cn(C)nc2C(F)(F)F)c1C
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
4.80E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human))
BDBM50576261
(CHEMBL4858923)
Show SMILES
CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(nn2)-c2cn(C)nc2C(F)(F)F)c1C
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
8.80E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human))
BDBM50576261
(CHEMBL4858923)
Show SMILES
CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(nn2)-c2cn(C)nc2C(F)(F)F)c1C
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
3.20E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human))
BDBM50576261
(CHEMBL4858923)
Show SMILES
CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(nn2)-c2cn(C)nc2C(F)(F)F)c1C
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
15
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human))
BDBM50576261
(CHEMBL4858923)
Show SMILES
CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(nn2)-c2cn(C)nc2C(F)(F)F)c1C
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
15
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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