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Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'taga' and Initial = 'f'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
BDBM50250014
PNG
(CHEMBL2324597)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50160071
PNG
(CHEMBL3787013)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C18H16ClN3O4S2/c1-10-17(27-18(20-10)21-11(2)23)12-3-8-15(19)16(9-12)28(25,26)22-13-4-6-14(24)7-5-13/h3-9,22,24H,1-2H3,(H,20,21,23)
PDB
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n/an/a 4.90n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50160071
PNG
(CHEMBL3787013)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C18H16ClN3O4S2/c1-10-17(27-18(20-10)21-11(2)23)12-3-8-15(19)16(9-12)28(25,26)22-13-4-6-14(24)7-5-13/h3-9,22,24H,1-2H3,(H,20,21,23)
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n/an/a 5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250017
PNG
(CHEMBL4102392)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50249997
PNG
(CHEMBL4078124)
PDB

UniProtKB/TrEMBL

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UniChem

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PubMed
n/an/a 8.90n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250016
PNG
(CHEMBL4086945)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250000
PNG
(CHEMBL4098707)
PDB

UniProtKB/TrEMBL

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UniChem

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PubMed
n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250103
PNG
(CHEMBL4087915)
PDB

UniProtKB/TrEMBL

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PDB
UniChem
PDB
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250002
PNG
(CHEMBL4069991)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50249998
PNG
(CHEMBL4094646)
PDB

UniProtKB/TrEMBL

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UniChem

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PubMed
n/an/a 14n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250015
PNG
(CHEMBL4065764)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250006
PNG
(CHEMBL4093769)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250003
PNG
(CHEMBL4074754)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250009
PNG
(CHEMBL4096137)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250011
PNG
(CHEMBL4098582)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50042924
PNG
(CHEMBL1229535)
Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 17n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250105
PNG
(CHEMBL4090858)
PDB

UniProtKB/TrEMBL

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UniChem

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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50160066
PNG
(CHEMBL3787634)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Br)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16BrN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 21n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50160072
PNG
(CHEMBL3787054)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H15ClFN3O3S2/c1-10-17(27-18(21-10)22-11(2)24)12-3-8-15(19)16(9-12)28(25,26)23-14-6-4-13(20)5-7-14/h3-9,23H,1-2H3,(H,21,22,24)
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n/an/a 29n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50160072
PNG
(CHEMBL3787054)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H15ClFN3O3S2/c1-10-17(27-18(21-10)22-11(2)24)12-3-8-15(19)16(9-12)28(25,26)23-14-6-4-13(20)5-7-14/h3-9,23H,1-2H3,(H,21,22,24)
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n/an/a 31n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50249994
PNG
(CHEMBL2324593)
PDB

UniProtKB/TrEMBL

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UniChem

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PubMed
n/an/a 32n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50160071
PNG
(CHEMBL3787013)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C18H16ClN3O4S2/c1-10-17(27-18(20-10)21-11(2)23)12-3-8-15(19)16(9-12)28(25,26)22-13-4-6-14(24)7-5-13/h3-9,22,24H,1-2H3,(H,20,21,23)
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n/an/a 32n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50160066
PNG
(CHEMBL3787634)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Br)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16BrN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 33n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50249996
PNG
(CHEMBL4097112)
PDB

UniProtKB/TrEMBL

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PubMed
n/an/a 35n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50249999
PNG
(CHEMBL4088534)
PDB

UniProtKB/TrEMBL

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PubMed
n/an/a 47n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50249995
PNG
(CHEMBL4065140)
PDB

UniProtKB/TrEMBL

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PubMed
n/an/a 47n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250013
PNG
(CHEMBL4095218)
PDB

UniProtKB/TrEMBL

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UniChem
Article
PubMed
n/an/a 68n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250005
PNG
(CHEMBL4060191)
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
Article
PubMed
n/an/a 73n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50042924
PNG
(CHEMBL1229535)
Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 77n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250001
PNG
(CHEMBL4090973)
PDB

UniProtKB/TrEMBL

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UniChem

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PubMed
n/an/a 78n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250104
PNG
(CHEMBL4080665)
PDB

UniProtKB/TrEMBL

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UniChem

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PubMed
n/an/a 95n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250007
PNG
(CHEMBL4073069)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 119n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50160066
PNG
(CHEMBL3787634)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Br)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16BrN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 146n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50160074
PNG
(CHEMBL3785311)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
Show InChI InChI=1S/C23H25N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27H,3-6H2,1-2H3,(H,24,25,28)
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n/an/a 152n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250012
PNG
(CHEMBL4080552)
PDB

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n/an/a 173n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50160067
PNG
(CHEMBL3786633)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C15H19N3O5S2/c1-9-14(24-15(17-9)18-10(2)20)11-4-5-12(23-3)13(8-11)25(21,22)16-6-7-19/h4-5,8,16,19H,6-7H2,1-3H3,(H,17,18,20)
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n/an/a 181n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of col...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250102
PNG
(CHEMBL4067196)
PDB

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n/an/a 191n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250008
PNG
(CHEMBL4068845)
PDB

UniProtKB/TrEMBL

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n/an/a 219n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50160067
PNG
(CHEMBL3786633)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1sc(NC(C)=O)nc1C
Show InChI InChI=1S/C15H19N3O5S2/c1-9-14(24-15(17-9)18-10(2)20)11-4-5-12(23-3)13(8-11)25(21,22)16-6-7-19/h4-5,8,16,19H,6-7H2,1-3H3,(H,17,18,20)
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n/an/a 223n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50160072
PNG
(CHEMBL3787054)
Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H15ClFN3O3S2/c1-10-17(27-18(21-10)22-11(2)24)12-3-8-15(19)16(9-12)28(25,26)23-14-6-4-13(20)5-7-14/h3-9,23H,1-2H3,(H,21,22,24)
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n/an/a 245n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250004
PNG
(CHEMBL4088414)
PDB

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n/an/a 272n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50042924
PNG
(CHEMBL1229535)
Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
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n/an/a 307n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50160070
PNG
(CHEMBL3786159)
Show SMILES Cc1nc(NC(=O)C2CCCC2)sc1-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C18H22ClN3O4S2/c1-11-16(27-18(21-11)22-17(24)12-4-2-3-5-12)13-6-7-14(19)15(10-13)28(25,26)20-8-9-23/h6-7,10,12,20,23H,2-5,8-9H2,1H3,(H,21,22,24)
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n/an/a 340n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50250010
PNG
(CHEMBL4069866)
PDB

UniProtKB/TrEMBL

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n/an/a 517n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50250014
PNG
(CHEMBL2324597)
PDB
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n/an/a 607n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50160075
PNG
(CHEMBL3786230)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C(C)(C)C)nc1C
Show InChI InChI=1S/C22H25N3O5S2/c1-13-19(31-21(23-13)24-20(27)22(2,3)4)14-6-11-17(30-5)18(12-14)32(28,29)25-15-7-9-16(26)10-8-15/h6-12,25-26H,1-5H3,(H,23,24,27)
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n/an/a 720n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50250016
PNG
(CHEMBL4086945)
PDB
MMDB

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n/an/a 828n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50250011
PNG
(CHEMBL4098582)
PDB
MMDB

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n/an/a 901n/an/an/an/an/an/a



University of California

Curated by ChEMBL




J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
More data for this
Ligand-Target Pair
Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit gamma


(Homo sapiens (Human))
BDBM50160075
PNG
(CHEMBL3786230)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C(C)(C)C)nc1C
Show InChI InChI=1S/C22H25N3O5S2/c1-13-19(31-21(23-13)24-20(27)22(2,3)4)14-6-11-17(30-5)18(12-14)32(28,29)25-15-7-9-16(26)10-8-15/h6-12,25-26H,1-5H3,(H,23,24,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length PI3KC2gamma expressed in baculovirus infected Sf21 insect cells preincubated for 15...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit gamma


(Homo sapiens (Human))
BDBM50160074
PNG
(CHEMBL3785311)
Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(O)cc1)-c1sc(NC(=O)C2CCCC2)nc1C
Show InChI InChI=1S/C23H25N3O5S2/c1-14-21(32-23(24-14)25-22(28)15-5-3-4-6-15)16-7-12-19(31-2)20(13-16)33(29,30)26-17-8-10-18(27)11-9-17/h7-13,15,26-27H,3-6H2,1-2H3,(H,24,25,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length PI3KC2gamma expressed in baculovirus infected Sf21 insect cells preincubated for 15...


J Med Chem 59: 1830-9 (2016)


BindingDB Entry DOI: 10.7270/Q29888W5
More data for this
Ligand-Target Pair
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