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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 605.7
BDBM50591091
Purchase
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
15
hits in this display
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
LIM domain kinase 1
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
1.40
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI:
10.7270/Q2F193Q2
More data for this
Ligand-Target Pair
3D Structure (crystal)
LIM domain kinase 2
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
5.5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI:
10.7270/Q2F193Q2
More data for this
Ligand-Target Pair
3D Structure (crystal)
LIM domain kinase 1
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
6.5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI:
10.7270/Q2F193Q2
More data for this
Ligand-Target Pair
3D Structure (crystal)
LIM domain kinase 1
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
7
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01106
BindingDB Entry DOI:
10.7270/Q23R0XVH
More data for this
Ligand-Target Pair
3D Structure (crystal)
LIM domain kinase 2
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
7.10
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI:
10.7270/Q2F193Q2
More data for this
Ligand-Target Pair
3D Structure (crystal)
LIM domain kinase 1
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
9.80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01106
BindingDB Entry DOI:
10.7270/Q23R0XVH
More data for this
Ligand-Target Pair
3D Structure (crystal)
LIM domain kinase 2
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
13
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01106
BindingDB Entry DOI:
10.7270/Q23R0XVH
More data for this
Ligand-Target Pair
3D Structure (crystal)
LIM domain kinase 2
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01106
BindingDB Entry DOI:
10.7270/Q23R0XVH
More data for this
Ligand-Target Pair
3D Structure (crystal)
LIM domain kinase 1
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
26
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI:
10.7270/Q2F193Q2
More data for this
Ligand-Target Pair
3D Structure (crystal)
LIM domain kinase 2
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
27
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI:
10.7270/Q2F193Q2
More data for this
Ligand-Target Pair
3D Structure (crystal)
LIM domain kinase 1
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
249
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01106
BindingDB Entry DOI:
10.7270/Q23R0XVH
More data for this
Ligand-Target Pair
3D Structure (crystal)
LIM domain kinase 2
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
368
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01106
BindingDB Entry DOI:
10.7270/Q23R0XVH
More data for this
Ligand-Target Pair
3D Structure (crystal)
LIM domain kinase 1/2
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
646
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI:
10.7270/Q2F193Q2
More data for this
Ligand-Target Pair
3D Structure (crystal)
LIM domain kinase 1
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
n/a
177
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01106
BindingDB Entry DOI:
10.7270/Q23R0XVH
More data for this
Ligand-Target Pair
3D Structure (crystal)
LIM domain kinase 2
(Homo sapiens (Human))
BDBM50591091
(CHEMBL5169387)
Show SMILES
CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
n/a
231
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01106
BindingDB Entry DOI:
10.7270/Q23R0XVH
More data for this
Ligand-Target Pair
3D Structure (crystal)