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BDBM50117501 CHEMBL3613623

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

InChI Key: InChIKey=RKAKGPYRNHXPDK-UHFFFAOYSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50117501   
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)
BDBM50117501
PNG
(CHEMBL3613623)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1
Show InChI InChI=1S/C25H32N6O3/c1-16-17(2)28-21-20(16)22(27-15-26-21)31-11-9-25(10-12-31,14-30(3)4)24(33)29-19-8-6-7-18(13-19)23(32)34-5/h6-8,13,15H,9-12,14H2,1-5H3,(H,29,33)(H,26,27,28)
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PC sid
UniChem
Article
PubMed
n/an/a 26n/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
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117501
PNG
(CHEMBL3613623)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1
Show InChI InChI=1S/C25H32N6O3/c1-16-17(2)28-21-20(16)22(27-15-26-21)31-11-9-25(10-12-31,14-30(3)4)24(33)29-19-8-6-7-18(13-19)23(32)34-5/h6-8,13,15H,9-12,14H2,1-5H3,(H,29,33)(H,26,27,28)
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PC sid
UniChem
Article
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n/an/a>1.00E+3n/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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50117501
PNG
(CHEMBL3613623)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1
Show InChI InChI=1S/C25H32N6O3/c1-16-17(2)28-21-20(16)22(27-15-26-21)31-11-9-25(10-12-31,14-30(3)4)24(33)29-19-8-6-7-18(13-19)23(32)34-5/h6-8,13,15H,9-12,14H2,1-5H3,(H,29,33)(H,26,27,28)
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UniChem
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (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)
BDBM50117501
PNG
(CHEMBL3613623)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1
Show InChI InChI=1S/C25H32N6O3/c1-16-17(2)28-21-20(16)22(27-15-26-21)31-11-9-25(10-12-31,14-30(3)4)24(33)29-19-8-6-7-18(13-19)23(32)34-5/h6-8,13,15H,9-12,14H2,1-5H3,(H,29,33)(H,26,27,28)
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n/an/a 1.60n/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))
BDBM50117501
PNG
(CHEMBL3613623)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1
Show InChI InChI=1S/C25H32N6O3/c1-16-17(2)28-21-20(16)22(27-15-26-21)31-11-9-25(10-12-31,14-30(3)4)24(33)29-19-8-6-7-18(13-19)23(32)34-5/h6-8,13,15H,9-12,14H2,1-5H3,(H,29,33)(H,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/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