new BindingDB logo
myBDB logout

BDBM50390783 CHEMBL2070502

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

InChI Key: InChIKey=MVJBIZDRJOFXBG-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 = 50390783   
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))
BDBM50390783
PNG
(CHEMBL2070502)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OC)ccc1Cl
Show InChI InChI=1S/C21H19ClN6OS/c1-3-6-25-21-26-12-19(30-21)17-10-16(14-9-13(29-2)4-5-15(14)22)27-20(28-17)18-11-23-7-8-24-18/h4-5,7-12H,3,6H2,1-2H3,(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+4n/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))
BDBM50390783
PNG
(CHEMBL2070502)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OC)ccc1Cl
Show InChI InChI=1S/C21H19ClN6OS/c1-3-6-25-21-26-12-19(30-21)17-10-16(14-9-13(29-2)4-5-15(14)22)27-20(28-17)18-11-23-7-8-24-18/h4-5,7-12H,3,6H2,1-2H3,(H,25,26)
KEGG

UniProtKB/SwissProt

antibodypedia
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))
BDBM50390783
PNG
(CHEMBL2070502)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OC)ccc1Cl
Show InChI InChI=1S/C21H19ClN6OS/c1-3-6-25-21-26-12-19(30-21)17-10-16(14-9-13(29-2)4-5-15(14)22)27-20(28-17)18-11-23-7-8-24-18/h4-5,7-12H,3,6H2,1-2H3,(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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 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))
BDBM50390783
PNG
(CHEMBL2070502)
Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OC)ccc1Cl
Show InChI InChI=1S/C21H19ClN6OS/c1-3-6-25-21-26-12-19(30-21)17-10-16(14-9-13(29-2)4-5-15(14)22)27-20(28-17)18-11-23-7-8-24-18/h4-5,7-12H,3,6H2,1-2H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 760n/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