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BDBM50148723 CHEMBL3769459::US9518026, Example 60

SMILES: CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(F)ccc2c1

InChI Key: InChIKey=QHBDRDRJQJTZOX-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50148723   
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)
BDBM50148723
PNG
(CHEMBL3769459 | US9518026, Example 60)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(F)ccc2c1
Show InChI InChI=1S/C17H18FN5O/c1-17(2,3)23-15(19)13(16(20)24)14(22-23)10-6-9-4-5-11(18)7-12(9)21-8-10/h4-8H,19H2,1-3H3,(H2,20,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/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)
BDBM50148723
PNG
(CHEMBL3769459 | US9518026, Example 60)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(F)ccc2c1
Show InChI InChI=1S/C17H18FN5O/c1-17(2,3)23-15(19)13(16(20)24)14(22-23)10-6-9-4-5-11(18)7-12(9)21-8-10/h4-8H,19H2,1-3H3,(H2,20,24)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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)


Article DOI: 10.1021/jm970374b
BindingDB Entry DOI: 10.7270/Q2BV7JN4
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148723
PNG
(CHEMBL3769459 | US9518026, Example 60)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(F)ccc2c1
Show InChI InChI=1S/C17H18FN5O/c1-17(2,3)23-15(19)13(16(20)24)14(22-23)10-6-9-4-5-11(18)7-12(9)21-8-10/h4-8H,19H2,1-3H3,(H2,20,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 7n/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)


Article DOI: 10.1021/jm970374b
BindingDB Entry DOI: 10.7270/Q2BV7JN4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148723
PNG
(CHEMBL3769459 | US9518026, Example 60)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(F)ccc2c1
Show InChI InChI=1S/C17H18FN5O/c1-17(2,3)23-15(19)13(16(20)24)14(22-23)10-6-9-4-5-11(18)7-12(9)21-8-10/h4-8H,19H2,1-3H3,(H2,20,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC using Ac-EIYGEFKKK as substrate after 90 mins by luciferase reporter assay


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