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BDBM50011236 CHEMBL344314::Isoquinoline-5-sulfonic acid (2-amino-ethyl)-amide::Isoquinolinesulfonamide, H-9::N-(2-aminoethyl)isoquinoline-5-sulfonamide

SMILES: NCCNS(=O)(=O)c1cccc2cnccc12

InChI Key: InChIKey=DCVZSHVZGVWQKV-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50011236   
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
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50011236
PNG
(CHEMBL344314 | Isoquinoline-5-sulfonic acid (2-ami...)
Show SMILES NCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2
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PubMed
n/an/a 1.10E+5n/an/an/an/a7.430



Nagoya University School of Medicine



Assay Description
Casein kinase activities were determined under the conditions as described by Huang et al (1982).


Citation and Details
More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM50011236
PNG
(CHEMBL344314 | Isoquinoline-5-sulfonic acid (2-ami...)
Show SMILES NCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2
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PubMed
n/an/a>3.00E+5n/an/an/an/a7.430



Nagoya University School of Medicine



Assay Description
Casein kinase activities were determined under the conditions as described by Huang et al (1982).


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50011236
PNG
(CHEMBL344314 | Isoquinoline-5-sulfonic acid (2-ami...)
Show SMILES NCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2
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Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum Pfmrk


Bioorg Med Chem Lett 17: 4961-6 (2007)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase type I-alpha regulatory subunit


(Bos taurus)
BDBM50011236
PNG
(CHEMBL344314 | Isoquinoline-5-sulfonic acid (2-ami...)
Show SMILES NCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2
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PubMed
n/an/a 3.60E+3n/an/an/an/a7.430



Nagoya University School of Medicine



Assay Description
Casein kinase activities were determined under the conditions as described by Huang et al (1982).


Citation and Details
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase II


(Bos taurus (Bovine))
BDBM50011236
PNG
(CHEMBL344314 | Isoquinoline-5-sulfonic acid (2-ami...)
Show SMILES NCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2
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PubMed
n/an/a 5.80E+4n/an/an/an/a7.430



Nagoya University School of Medicine



Assay Description
Casein kinase activities were determined under the conditions as described by Huang et al (1982).


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50011236
PNG
(CHEMBL344314 | Isoquinoline-5-sulfonic acid (2-ami...)
Show SMILES NCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2
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PubMed
n/an/a 1.80E+4n/an/an/an/a7.430



Nagoya University School of Medicine



Assay Description
Casein kinase activities were determined under the conditions as described by Huang et al (1982).


Citation and Details
More data for this
Ligand-Target Pair