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BDBM50216680 1-(2-(isoquinoline-5-sulfonamido)ethyl)guanidine::CHEMBL143054::H-1004::N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide::N-(2-guanidinoethyl)isoquinoline-5-sulfonamide

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12

InChI Key: InChIKey=MZNDNBFMSVMUCX-UHFFFAOYSA-N

Data: 2 KI  1 IC50  1 Kd

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 4 hits for monomerid = 50216680   
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
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM50216680
PNG
(1-(2-(isoquinoline-5-sulfonamido)ethyl)guanidine |...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C12H15N5O2S/c13-12(14)16-6-7-17-20(18,19)11-3-1-2-9-8-15-5-4-10(9)11/h1-5,8,17H,6-7H2,(H4,13,14,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.30E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CaM-KKbeta


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM50216680
PNG
(1-(2-(isoquinoline-5-sulfonamido)ethyl)guanidine |...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C12H15N5O2S/c13-12(14)16-6-7-17-20(18,19)11-3-1-2-9-8-15-5-4-10(9)11/h1-5,8,17H,6-7H2,(H4,13,14,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.50E+5n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity at MLCK


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50216680
PNG
(1-(2-(isoquinoline-5-sulfonamido)ethyl)guanidine |...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C12H15N5O2S/c13-12(14)16-6-7-17-20(18,19)11-3-1-2-9-8-15-5-4-10(9)11/h1-5,8,17H,6-7H2,(H4,13,14,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 5.00E+3n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50216680
PNG
(1-(2-(isoquinoline-5-sulfonamido)ethyl)guanidine |...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C12H15N5O2S/c13-12(14)16-6-7-17-20(18,19)11-3-1-2-9-8-15-5-4-10(9)11/h1-5,8,17H,6-7H2,(H4,13,14,16)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>5.00E+5n/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)


Article DOI: 10.1016/j.bmcl.2007.06.032
BindingDB Entry DOI: 10.7270/Q2GX4CC8
More data for this
Ligand-Target Pair