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BDBM50390790 CHEMBL2070614

SMILES: CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C

InChI Key: InChIKey=ZEMLGPJIQJHESM-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 = 50390790   
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))
BDBM50390790
PNG
(CHEMBL2070614)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C22H21N7O2S/c1-12-7-14(31-4)8-13(2)19(12)16-9-15(18-11-26-22(32-18)29-21(30)23-3)27-20(28-16)17-10-24-5-6-25-17/h5-11H,1-4H3,(H2,23,26,29,30)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/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 1


(Homo sapiens (Human))
BDBM50390790
PNG
(CHEMBL2070614)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C22H21N7O2S/c1-12-7-14(31-4)8-13(2)19(12)16-9-15(18-11-26-22(32-18)29-21(30)23-3)27-20(28-16)17-10-24-5-6-25-17/h5-11H,1-4H3,(H2,23,26,29,30)
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PC sid
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n/an/a 1.13E+3n/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
Dual specificity testis-specific protein kinase 2


(Homo sapiens (Human))
BDBM50390790
PNG
(CHEMBL2070614)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C22H21N7O2S/c1-12-7-14(31-4)8-13(2)19(12)16-9-15(18-11-26-22(32-18)29-21(30)23-3)27-20(28-16)17-10-24-5-6-25-17/h5-11H,1-4H3,(H2,23,26,29,30)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 415n/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
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50390790
PNG
(CHEMBL2070614)
Show SMILES CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
Show InChI InChI=1S/C22H21N7O2S/c1-12-7-14(31-4)8-13(2)19(12)16-9-15(18-11-26-22(32-18)29-21(30)23-3)27-20(28-16)17-10-24-5-6-25-17/h5-11H,1-4H3,(H2,23,26,29,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/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