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BDBM50319632 CHEMBL1084890::N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-2-phenylacetamide

SMILES: Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1

InChI Key: InChIKey=NUMKSHPDXMTIAA-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50319632   
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
Myotonin-protein kinase


(Homo sapiens (Human))
BDBM50319632
PNG
(CHEMBL1084890 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
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PubMed
n/an/a>8.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of DMPK


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
BindingDB Entry DOI: 10.7270/Q21N819Z
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319632
PNG
(CHEMBL1084890 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
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n/an/a 320n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
BindingDB Entry DOI: 10.7270/Q21N819Z
More data for this
Ligand-Target Pair
Protein kinase N2


(Homo sapiens (Human))
BDBM50319632
PNG
(CHEMBL1084890 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkcl2


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
BindingDB Entry DOI: 10.7270/Q21N819Z
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50319632
PNG
(CHEMBL1084890 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
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n/an/a>8.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Prkce


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
BindingDB Entry DOI: 10.7270/Q21N819Z
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM50319632
PNG
(CHEMBL1084890 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDc42


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
BindingDB Entry DOI: 10.7270/Q21N819Z
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319632
PNG
(CHEMBL1084890 | N-(7-chloro-1-oxo-1,2-dihydroisoqu...)
Show SMILES Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
Show InChI InChI=1S/C17H13ClN2O2/c18-14-10-13-12(6-7-19-17(13)22)9-15(14)20-16(21)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,22)(H,20,21)
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Article
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n/an/a 180n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 20: 3235-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.070
BindingDB Entry DOI: 10.7270/Q21N819Z
More data for this
Ligand-Target Pair