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BDBM50117504 CHEMBL3613620

SMILES: COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1

InChI Key: InChIKey=UVPTTYAFVRRFMP-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50117504   
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)
BDBM50117504
PNG
(CHEMBL3613620)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1
Show InChI InChI=1S/C24H27N7O3/c1-30(2)14-24(23(33)29-18-6-4-5-16(11-18)22(32)34-3)7-9-31(10-8-24)21-19-17(12-25)13-26-20(19)27-15-28-21/h4-6,11,13,15H,7-10,14H2,1-3H3,(H,29,33)(H,26,27,28)
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n/an/a 25n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens)
BDBM50117504
PNG
(CHEMBL3613620)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1
Show InChI InChI=1S/C24H27N7O3/c1-30(2)14-24(23(33)29-18-6-4-5-16(11-18)22(32)34-3)7-9-31(10-8-24)21-19-17(12-25)13-26-20(19)27-15-28-21/h4-6,11,13,15H,7-10,14H2,1-3H3,(H,29,33)(H,26,27,28)
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n/an/a 4n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117504
PNG
(CHEMBL3613620)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1
Show InChI InChI=1S/C24H27N7O3/c1-30(2)14-24(23(33)29-18-6-4-5-16(11-18)22(32)34-3)7-9-31(10-8-24)21-19-17(12-25)13-26-20(19)27-15-28-21/h4-6,11,13,15H,7-10,14H2,1-3H3,(H,29,33)(H,26,27,28)
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PubMed
n/an/a 2.5n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117504
PNG
(CHEMBL3613620)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1
Show InChI InChI=1S/C24H27N7O3/c1-30(2)14-24(23(33)29-18-6-4-5-16(11-18)22(32)34-3)7-9-31(10-8-24)21-19-17(12-25)13-26-20(19)27-15-28-21/h4-6,11,13,15H,7-10,14H2,1-3H3,(H,29,33)(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair