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6 similar compounds to monomer 50148652

Compile data set for download or QSAR
Wt: 416.3
BDBM50148644
Wt: 369.4
BDBM50148646
Wt: 369.4
BDBM50148647
Wt: 339.3
BDBM50148650
Wt: 351.4
BDBM50148651
Wt: 355.3
BDBM50148643

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50148644,50148646,50148647,50148650,50148651,50148643   
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)
BDBM50148643
PNG
(CHEMBL3770340 | US9518026, Example 51)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CO)c(N)c1C(N)=O
Show InChI InChI=1S/C18H21N5O3/c1-3-26-13-5-4-11-6-12(8-21-14(11)7-13)16-15(18(20)25)17(19)23(22-16)10(2)9-24/h4-8,10,24H,3,9,19H2,1-2H3,(H2,20,25)
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PubMed
n/an/a 26n/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)
BDBM50148651
PNG
(CHEMBL3771134 | US9518026, Example 56)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CC2)c(N)c1C(N)=O
Show InChI InChI=1S/C19H21N5O2/c1-2-26-15-8-6-12-9-13(5-7-14(12)22-15)17-16(19(21)25)18(20)24(23-17)10-11-3-4-11/h5-9,11H,2-4,10,20H2,1H3,(H2,21,25)
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n/an/a 3n/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)
BDBM50148647
PNG
(CHEMBL3769570 | US9518026, Example 53)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CCO)c(N)c1C(N)=O
Show InChI InChI=1S/C19H23N5O3/c1-3-27-14-5-4-12-8-13(10-22-15(12)9-14)17-16(19(21)26)18(20)24(23-17)11(2)6-7-25/h4-5,8-11,25H,3,6-7,20H2,1-2H3,(H2,21,26)
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n/an/a 20n/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 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148650
PNG
(CHEMBL3770142 | US9518026, Example 103)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C18H21N5O2/c1-4-25-14-8-6-11-9-12(5-7-13(11)21-14)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)
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n/an/a 6.5n/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 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148651
PNG
(CHEMBL3771134 | US9518026, Example 56)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CC2)c(N)c1C(N)=O
Show InChI InChI=1S/C19H21N5O2/c1-2-26-15-8-6-12-9-13(5-7-14(12)22-15)17-16(19(21)25)18(20)24(23-17)10-11-3-4-11/h5-9,11H,2-4,10,20H2,1H3,(H2,21,25)
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n/an/a 7.90n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148650
PNG
(CHEMBL3770142 | US9518026, Example 103)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C18H21N5O2/c1-4-25-14-8-6-11-9-12(5-7-13(11)21-14)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)
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n/an/a 3.30E+3n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148651
PNG
(CHEMBL3771134 | US9518026, Example 56)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CC2)c(N)c1C(N)=O
Show InChI InChI=1S/C19H21N5O2/c1-2-26-15-8-6-12-9-13(5-7-14(12)22-15)17-16(19(21)25)18(20)24(23-17)10-11-3-4-11/h5-9,11H,2-4,10,20H2,1H3,(H2,21,25)
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n/an/a>1.00E+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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50148644
PNG
(3-Aminomethyl-4-(2,4-dichloro-phenyl)-7,8-dimethox...)
Show SMILES COc1cc2Cc3c(nc(N)c(CN)c3-c3ccc(Cl)cc3Cl)-c2cc1OC
Show InChI InChI=1S/C21H19Cl2N3O2/c1-27-17-6-10-5-14-19(12-4-3-11(22)7-16(12)23)15(9-24)21(25)26-20(14)13(10)8-18(17)28-2/h3-4,6-8H,5,9,24H2,1-2H3,(H2,25,26)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148650
PNG
(CHEMBL3770142 | US9518026, Example 103)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C18H21N5O2/c1-4-25-14-8-6-11-9-12(5-7-13(11)21-14)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)
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n/an/a>2.00E+3n/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 (CDPK1)


(Cryptosporidium parvum)
BDBM50148650
PNG
(CHEMBL3770142 | US9518026, Example 103)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C18H21N5O2/c1-4-25-14-8-6-11-9-12(5-7-13(11)21-14)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)
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n/an/a>2.00E+3n/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)
BDBM50148650
PNG
(CHEMBL3770142 | US9518026, Example 103)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C18H21N5O2/c1-4-25-14-8-6-11-9-12(5-7-13(11)21-14)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)
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n/an/a 7n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo l...


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148650
PNG
(CHEMBL3770142 | US9518026, Example 103)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C)c(N)c1C(N)=O
Show InChI InChI=1S/C18H21N5O2/c1-4-25-14-8-6-11-9-12(5-7-13(11)21-14)16-15(18(20)24)17(19)23(22-16)10(2)3/h5-10H,4,19H2,1-3H3,(H2,20,24)
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n/an/a 3.33E+3n/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 Kinase glo luciferase assay


Bioorg Med Chem Lett 26: 5487-5491 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.014
BindingDB Entry DOI: 10.7270/Q2J968BR
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50148643
PNG
(CHEMBL3770340 | US9518026, Example 51)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CO)c(N)c1C(N)=O
Show InChI InChI=1S/C18H21N5O3/c1-3-26-13-5-4-11-6-12(8-21-14(11)7-13)16-15(18(20)25)17(19)23(22-16)10(2)9-24/h4-8,10,24H,3,9,19H2,1-2H3,(H2,20,25)
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n/an/a 80n/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 (CDPK1)


(Cryptosporidium parvum)
BDBM50148643
PNG
(CHEMBL3770340 | US9518026, Example 51)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CO)c(N)c1C(N)=O
Show InChI InChI=1S/C18H21N5O3/c1-3-26-13-5-4-11-6-12(8-21-14(11)7-13)16-15(18(20)25)17(19)23(22-16)10(2)9-24/h4-8,10,24H,3,9,19H2,1-2H3,(H2,20,25)
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n/an/a 30n/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)
BDBM50148646
PNG
(CHEMBL3770662 | US9518026, Example 52)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)O)c(N)c1C(N)=O
Show InChI InChI=1S/C19H23N5O3/c1-4-27-13-6-5-11-7-12(9-22-14(11)8-13)16-15(18(21)25)17(20)24(23-16)10-19(2,3)26/h5-9,26H,4,10,20H2,1-3H3,(H2,21,25)
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n/an/a 20n/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 (CDPK1)


(Cryptosporidium parvum)
BDBM50148646
PNG
(CHEMBL3770662 | US9518026, Example 52)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)O)c(N)c1C(N)=O
Show InChI InChI=1S/C19H23N5O3/c1-4-27-13-6-5-11-7-12(9-22-14(11)8-13)16-15(18(21)25)17(20)24(23-16)10-19(2,3)26/h5-9,26H,4,10,20H2,1-3H3,(H2,21,25)
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n/an/a 9n/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)
BDBM50148647
PNG
(CHEMBL3769570 | US9518026, Example 53)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CCO)c(N)c1C(N)=O
Show InChI InChI=1S/C19H23N5O3/c1-3-27-14-5-4-12-8-13(10-22-15(12)9-14)17-16(19(21)26)18(20)24(23-17)11(2)6-7-25/h4-5,8-11,25H,3,6-7,20H2,1-2H3,(H2,21,26)
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n/an/a 41n/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 (CDPK1)


(Cryptosporidium parvum)
BDBM50148647
PNG
(CHEMBL3769570 | US9518026, Example 53)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CCO)c(N)c1C(N)=O
Show InChI InChI=1S/C19H23N5O3/c1-3-27-14-5-4-12-8-13(10-22-15(12)9-14)17-16(19(21)26)18(20)24(23-17)11(2)6-7-25/h4-5,8-11,25H,3,6-7,20H2,1-2H3,(H2,21,26)
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n/an/a 21n/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)
BDBM50148651
PNG
(CHEMBL3771134 | US9518026, Example 56)
Show SMILES CCOc1ccc2cc(ccc2n1)-c1nn(CC2CC2)c(N)c1C(N)=O
Show InChI InChI=1S/C19H21N5O2/c1-2-26-15-8-6-12-9-13(5-7-14(12)22-15)17-16(19(21)25)18(20)24(23-17)10-11-3-4-11/h5-9,11H,2-4,10,20H2,1H3,(H2,21,25)
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n/an/a 6n/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)
BDBM50148646
PNG
(CHEMBL3770662 | US9518026, Example 52)
Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)O)c(N)c1C(N)=O
Show InChI InChI=1S/C19H23N5O3/c1-4-27-13-6-5-11-7-12(9-22-14(11)8-13)16-15(18(21)25)17(20)24(23-16)10-19(2,3)26/h5-9,26H,4,10,20H2,1-3H3,(H2,21,25)
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n/an/a 113n/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