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SMILES: COc1ccc(cc1OC)C(=O)NCc1cccc(NC(=O)CCC2CCCNC2)c1

InChI Key: InChIKey=SJBMXOXUSWRUJG-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50308900   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50308900
PNG
(3,4-Dimethoxy-N-[3-(3-piperidin-3-yl-propionylamin...)
Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(NC(=O)CCC2CCCNC2)c1
Show InChI InChI=1S/C24H31N3O4/c1-30-21-10-9-19(14-22(21)31-2)24(29)26-16-18-5-3-7-20(13-18)27-23(28)11-8-17-6-4-12-25-15-17/h3,5,7,9-10,13-14,17,25H,4,6,8,11-12,15-16H2,1-2H3,(H,26,29)(H,27,28)
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n/an/a 73n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ROCK2 by IMAP assay


J Med Chem 53: 759-77 (2010)


Article DOI: 10.1021/jm9014263
BindingDB Entry DOI: 10.7270/Q2V125RD
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM50308900
PNG
(3,4-Dimethoxy-N-[3-(3-piperidin-3-yl-propionylamin...)
Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(NC(=O)CCC2CCCNC2)c1
Show InChI InChI=1S/C24H31N3O4/c1-30-21-10-9-19(14-22(21)31-2)24(29)26-16-18-5-3-7-20(13-18)27-23(28)11-8-17-6-4-12-25-15-17/h3,5,7,9-10,13-14,17,25H,4,6,8,11-12,15-16H2,1-2H3,(H,26,29)(H,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Cdc42


J Med Chem 53: 759-77 (2010)


Article DOI: 10.1021/jm9014263
BindingDB Entry DOI: 10.7270/Q2V125RD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase N2


(Homo sapiens (Human))
BDBM50308900
PNG
(3,4-Dimethoxy-N-[3-(3-piperidin-3-yl-propionylamin...)
Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(NC(=O)CCC2CCCNC2)c1
Show InChI InChI=1S/C24H31N3O4/c1-30-21-10-9-19(14-22(21)31-2)24(29)26-16-18-5-3-7-20(13-18)27-23(28)11-8-17-6-4-12-25-15-17/h3,5,7,9-10,13-14,17,25H,4,6,8,11-12,15-16H2,1-2H3,(H,26,29)(H,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PKN2


J Med Chem 53: 759-77 (2010)


Article DOI: 10.1021/jm9014263
BindingDB Entry DOI: 10.7270/Q2V125RD
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM50308900
PNG
(3,4-Dimethoxy-N-[3-(3-piperidin-3-yl-propionylamin...)
Show SMILES COc1ccc(cc1OC)C(=O)NCc1cccc(NC(=O)CCC2CCCNC2)c1
Show InChI InChI=1S/C24H31N3O4/c1-30-21-10-9-19(14-22(21)31-2)24(29)26-16-18-5-3-7-20(13-18)27-23(28)11-8-17-6-4-12-25-15-17/h3,5,7,9-10,13-14,17,25H,4,6,8,11-12,15-16H2,1-2H3,(H,26,29)(H,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PKCepsilon


J Med Chem 53: 759-77 (2010)


Article DOI: 10.1021/jm9014263
BindingDB Entry DOI: 10.7270/Q2V125RD
More data for this
Ligand-Target Pair