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BDBM50390785 CHEMBL2070504

SMILES: CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC2CCCCC2)ccc1Cl

InChI Key: InChIKey=BVUPEIDHNYSDAC-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50390785   
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
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50390785
PNG
(CHEMBL2070504)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC2CCCCC2)ccc1Cl
Show InChI InChI=1S/C28H31ClN6OS/c1-2-11-32-28-33-18-26(37-28)24-16-23(34-27(35-24)25-17-30-12-13-31-25)21-15-20(8-9-22(21)29)36-14-10-19-6-4-3-5-7-19/h8-9,12-13,15-19H,2-7,10-11,14H2,1H3,(H,32,33)
PDB

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PC cid
PC sid
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n/an/a 145n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Dual specificity testis-specific protein kinase 2


(Homo sapiens (Human))
BDBM50390785
PNG
(CHEMBL2070504)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC2CCCCC2)ccc1Cl
Show InChI InChI=1S/C28H31ClN6OS/c1-2-11-32-28-33-18-26(37-28)24-16-23(34-27(35-24)25-17-30-12-13-31-25)21-15-20(8-9-22(21)29)36-14-10-19-6-4-3-5-7-19/h8-9,12-13,15-19H,2-7,10-11,14H2,1H3,(H,32,33)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of TESK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
Dual specificity testis-specific protein kinase 1


(Homo sapiens (Human))
BDBM50390785
PNG
(CHEMBL2070504)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC2CCCCC2)ccc1Cl
Show InChI InChI=1S/C28H31ClN6OS/c1-2-11-32-28-33-18-26(37-28)24-16-23(34-27(35-24)25-17-30-12-13-31-25)21-15-20(8-9-22(21)29)36-14-10-19-6-4-3-5-7-19/h8-9,12-13,15-19H,2-7,10-11,14H2,1H3,(H,32,33)
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of TESK1


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390785
PNG
(CHEMBL2070504)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC2CCCCC2)ccc1Cl
Show InChI InChI=1S/C28H31ClN6OS/c1-2-11-32-28-33-18-26(37-28)24-16-23(34-27(35-24)25-17-30-12-13-31-25)21-15-20(8-9-22(21)29)36-14-10-19-6-4-3-5-7-19/h8-9,12-13,15-19H,2-7,10-11,14H2,1H3,(H,32,33)
PDB
MMDB

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B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LIMK2


Bioorg Med Chem Lett 22: 5995-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.002
BindingDB Entry DOI: 10.7270/Q2K075CJ
More data for this
Ligand-Target Pair