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1 similar compounds to monomer 50148649

Compile data set for download or QSAR
Wt: 393.4
BDBM50148653

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50148653   
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
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148653
PNG
(CHEMBL3771104 | US9518026, Example 58)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C22H27N5O2/c1-2-29-18-12-10-14-13-15(9-11-17(14)25-18)20-19(22(24)28)21(23)27(26-20)16-7-5-3-4-6-8-16/h9-13,16H,2-8,23H2,1H3,(H2,24,28)
PDB

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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...


ACS Med Chem Lett 6: 1184-1189 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00319
BindingDB Entry DOI: 10.7270/Q2NK3GXD
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase (CDPK1)


(Cryptosporidium parvum)
BDBM50148653
PNG
(CHEMBL3771104 | US9518026, Example 58)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C22H27N5O2/c1-2-29-18-12-10-14-13-15(9-11-17(14)25-18)20-19(22(24)28)21(23)27(26-20)16-7-5-3-4-6-8-16/h9-13,16H,2-8,23H2,1H3,(H2,24,28)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



University of Washington Through its Center For Commercialization

US Patent


Assay Description
Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...


US Patent US9518026 (2016)

More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148653
PNG
(CHEMBL3771104 | US9518026, Example 58)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCCC2)c(N)c1C(N)=O
Show InChI InChI=1S/C22H27N5O2/c1-2-29-18-12-10-14-13-15(9-11-17(14)25-18)20-19(22(24)28)21(23)27(26-20)16-7-5-3-4-6-8-16/h9-13,16H,2-8,23H2,1H3,(H2,24,28)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 4n/an/an/an/an/an/a



University of Washington Through its Center For Commercialization

US Patent


Assay Description
Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...


US Patent US9518026 (2016)

More data for this
Ligand-Target Pair