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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'LIM domain kinase 2' and Ligand = 'BDBM50043501'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50043501
PNG
(CHEMBL3355509)
Show SMILES O=C(N(CCC#N)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H21N3O3S/c24-16-7-17-26(18-19-8-3-1-4-9-19)23(27)20-12-14-22(15-13-20)30(28,29)25-21-10-5-2-6-11-21/h1-6,8-15,25H,7,17-18H2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.20n/an/an/an/an/an/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
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50043501
PNG
(CHEMBL3355509)
Show SMILES O=C(N(CCC#N)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H21N3O3S/c24-16-7-17-26(18-19-8-3-1-4-9-19)23(27)20-12-14-22(15-13-20)30(28,29)25-21-10-5-2-6-11-21/h1-6,8-15,25H,7,17-18H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/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
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50043501
PNG
(CHEMBL3355509)
Show SMILES O=C(N(CCC#N)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H21N3O3S/c24-16-7-17-26(18-19-8-3-1-4-9-19)23(27)20-12-14-22(15-13-20)30(28,29)25-21-10-5-2-6-11-21/h1-6,8-15,25H,7,17-18H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human full-length LIMK2 expressed in Sf9 cells assessed as incorporation of [33P] from ATP into biotinylated-cofilin substrate in prese...


ACS Med Chem Lett 6: 53-7 (2015)


Article DOI: 10.1021/ml500242y
BindingDB Entry DOI: 10.7270/Q2SQ9207
More data for this
Ligand-Target Pair