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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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85%
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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PubMed code
22932313
Compile data set for download or QSAR
Found
9
hits of Enzyme Inhibition Constant Data
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
Tyrosine-protein kinase Mer
(Homo sapiens (Human))
BDBM50421320
(CHEMBL2088175)
Show SMILES
[O-][N+](=O)c1cc(c(Nc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
Show InChI
InChI=1S/C13H7ClN4O4/c14-10-5-11(13(18(21)22)6-12(10)17(19)20)16-9-3-1-8(7-15)2-4-9/h1-6,16H
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.20E+3
n/a
n/a
n/a
n/a
n/a
n/a
Beijing Institute of Pharmacology& Toxicology
Curated by
ChEMBL
Assay Description
Inhibition of Mer
Bioorg Med Chem Lett
22:
6224
-
8
(2012)
Article DOI:
10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI:
10.7270/Q2M046QM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer
(Homo sapiens (Human))
BDBM50421321
(CHEMBL2088176)
Show SMILES
[O-][N+](=O)c1cc(c(Oc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
Show InChI
InChI=1S/C13H6ClN3O5/c14-10-5-13(12(17(20)21)6-11(10)16(18)19)22-9-3-1-8(7-15)2-4-9/h1-6H
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.40E+3
n/a
n/a
n/a
n/a
n/a
n/a
Beijing Institute of Pharmacology& Toxicology
Curated by
ChEMBL
Assay Description
Inhibition of Mer
Bioorg Med Chem Lett
22:
6224
-
8
(2012)
Article DOI:
10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI:
10.7270/Q2M046QM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer
(Homo sapiens (Human))
BDBM50421322
(CHEMBL2088178)
Show SMILES
COc1ccc(Oc2nc(Cl)ccc2[N+]([O-])=O)cc1
Show InChI
InChI=1S/C12H9ClN2O4/c1-18-8-2-4-9(5-3-8)19-12-10(15(16)17)6-7-11(13)14-12/h2-7H,1H3
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
Beijing Institute of Pharmacology& Toxicology
Curated by
ChEMBL
Assay Description
Inhibition of Mer
Bioorg Med Chem Lett
22:
6224
-
8
(2012)
Article DOI:
10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI:
10.7270/Q2M046QM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO
(Homo sapiens (Human))
BDBM50421320
(CHEMBL2088175)
Show SMILES
[O-][N+](=O)c1cc(c(Nc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
Show InChI
InChI=1S/C13H7ClN4O4/c14-10-5-11(13(18(21)22)6-12(10)17(19)20)16-9-3-1-8(7-15)2-4-9/h1-6,16H
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
Beijing Institute of Pharmacology& Toxicology
Curated by
ChEMBL
Assay Description
Inhibition of Axl
Bioorg Med Chem Lett
22:
6224
-
8
(2012)
Article DOI:
10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI:
10.7270/Q2M046QM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO
(Homo sapiens (Human))
BDBM50421322
(CHEMBL2088178)
Show SMILES
COc1ccc(Oc2nc(Cl)ccc2[N+]([O-])=O)cc1
Show InChI
InChI=1S/C12H9ClN2O4/c1-18-8-2-4-9(5-3-8)19-12-10(15(16)17)6-7-11(13)14-12/h2-7H,1H3
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
Beijing Institute of Pharmacology& Toxicology
Curated by
ChEMBL
Assay Description
Inhibition of Axl
Bioorg Med Chem Lett
22:
6224
-
8
(2012)
Article DOI:
10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI:
10.7270/Q2M046QM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human))
BDBM50421321
(CHEMBL2088176)
Show SMILES
[O-][N+](=O)c1cc(c(Oc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
Show InChI
InChI=1S/C13H6ClN3O5/c14-10-5-13(12(17(20)21)6-11(10)16(18)19)22-9-3-1-8(7-15)2-4-9/h1-6H
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>3.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
Beijing Institute of Pharmacology& Toxicology
Curated by
ChEMBL
Assay Description
Inhibition of Tyro3
Bioorg Med Chem Lett
22:
6224
-
8
(2012)
Article DOI:
10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI:
10.7270/Q2M046QM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO
(Homo sapiens (Human))
BDBM50421321
(CHEMBL2088176)
Show SMILES
[O-][N+](=O)c1cc(c(Oc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
Show InChI
InChI=1S/C13H6ClN3O5/c14-10-5-13(12(17(20)21)6-11(10)16(18)19)22-9-3-1-8(7-15)2-4-9/h1-6H
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>3.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
Beijing Institute of Pharmacology& Toxicology
Curated by
ChEMBL
Assay Description
Inhibition of Axl
Bioorg Med Chem Lett
22:
6224
-
8
(2012)
Article DOI:
10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI:
10.7270/Q2M046QM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human))
BDBM50421320
(CHEMBL2088175)
Show SMILES
[O-][N+](=O)c1cc(c(Nc2ccc(cc2)C#N)cc1Cl)[N+]([O-])=O
Show InChI
InChI=1S/C13H7ClN4O4/c14-10-5-11(13(18(21)22)6-12(10)17(19)20)16-9-3-1-8(7-15)2-4-9/h1-6,16H
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>3.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
Beijing Institute of Pharmacology& Toxicology
Curated by
ChEMBL
Assay Description
Inhibition of Tyro3
Bioorg Med Chem Lett
22:
6224
-
8
(2012)
Article DOI:
10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI:
10.7270/Q2M046QM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human))
BDBM50421322
(CHEMBL2088178)
Show SMILES
COc1ccc(Oc2nc(Cl)ccc2[N+]([O-])=O)cc1
Show InChI
InChI=1S/C12H9ClN2O4/c1-18-8-2-4-9(5-3-8)19-12-10(15(16)17)6-7-11(13)14-12/h2-7H,1H3
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>3.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
Beijing Institute of Pharmacology& Toxicology
Curated by
ChEMBL
Assay Description
Inhibition of Tyro3
Bioorg Med Chem Lett
22:
6224
-
8
(2012)
Article DOI:
10.1016/j.bmcl.2012.08.014
BindingDB Entry DOI:
10.7270/Q2M046QM
More data for this
Ligand-Target Pair
*
indicates data uncertainty>20%
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