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3 similar compounds to monomer 71211

Compile data set for download or QSAR
Wt: 297.3
BDBM87453
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Wt: 219.3
BDBM50354368
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Wt: 311.4
BDBM50354370
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 87453,50354368,50354370   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM87453
PNG
(3-[(3-methyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[...)
Show SMILES Cc1nc(Nc2cccc(O)c2)c2c3CCCc3sc2n1
Show InChI InChI=1S/C16H15N3OS/c1-9-17-15(19-10-4-2-5-11(20)8-10)14-12-6-3-7-13(12)21-16(14)18-9/h2,4-5,8,20H,3,6-7H2,1H3,(H,17,18,19)
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MMDB

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PC cid
PC sid
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PCBioAssay
n/an/a>7.35E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.07.011
BindingDB Entry DOI: 10.7270/Q2RB736G
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50354368
PNG
(CHEMBL1836481)
Show SMILES CNc1ncnc2sc3CCCCc3c12
Show InChI InChI=1S/C11H13N3S/c1-12-10-9-7-4-2-3-5-8(7)15-11(9)14-6-13-10/h6H,2-5H2,1H3,(H,12,13,14)
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CHEMBL
PC cid
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 using cofilin-2 as substrate after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 5992-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.050
BindingDB Entry DOI: 10.7270/Q22Z15XF
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50354370
PNG
(CHEMBL1165229)
Show SMILES COc1ccc(Nc2ncnc3sc4CCCCc4c23)cc1
Show InChI InChI=1S/C17H17N3OS/c1-21-12-8-6-11(7-9-12)20-16-15-13-4-2-3-5-14(13)22-17(15)19-10-18-16/h6-10H,2-5H2,1H3,(H,18,19,20)
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PC cid
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 using cofilin-2 as substrate after 60 mins by Kinase-Glo assay


Bioorg Med Chem Lett 21: 5992-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.050
BindingDB Entry DOI: 10.7270/Q22Z15XF
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50354368
PNG
(CHEMBL1836481)
Show SMILES CNc1ncnc2sc3CCCCc3c12
Show InChI InChI=1S/C11H13N3S/c1-12-10-9-7-4-2-3-5-8(7)15-11(9)14-6-13-10/h6H,2-5H2,1H3,(H,12,13,14)
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 using cofilin-2 as substrate after 60 mins by Kinase-Glo assay


Bioorg Med Chem Lett 21: 5992-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.050
BindingDB Entry DOI: 10.7270/Q22Z15XF
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50354370
PNG
(CHEMBL1165229)
Show SMILES COc1ccc(Nc2ncnc3sc4CCCCc4c23)cc1
Show InChI InChI=1S/C17H17N3OS/c1-21-12-8-6-11(7-9-12)20-16-15-13-4-2-3-5-14(13)22-17(15)19-10-18-16/h6-10H,2-5H2,1H3,(H,18,19,20)
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 using cofilin-2 as substrate after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 5992-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.050
BindingDB Entry DOI: 10.7270/Q22Z15XF
More data for this
Ligand-Target Pair