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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50018693   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 5n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611483
PNG
(CHEMBL5277394)
Show SMILES COCCNC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
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n/an/a 30n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611465
PNG
(CHEMBL5283525)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc(N)nc1
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More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611464
PNG
(CHEMBL5273848)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc(N)nc1
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Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611481
PNG
(CHEMBL5268761)
Show SMILES CCCC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50457164
PNG
(CHEMBL4217733)
Show SMILES CC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C18H15ClN4O3S/c1-12(24)22-17-8-7-13(10-20-17)14-9-16(18(19)21-11-14)23-27(25,26)15-5-3-2-4-6-15/h2-11,23H,1H3,(H,20,22,24)
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611480
PNG
(CHEMBL5266749)
Show SMILES CCC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50457178
PNG
(CHEMBL4209923)
Show SMILES Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C16H13ClN4O2S/c17-16-14(21-24(22,23)13-4-2-1-3-5-13)8-12(10-20-16)11-6-7-15(18)19-9-11/h1-10,21H,(H2,18,19)
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Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611467
PNG
(CHEMBL5273428)
Show SMILES Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2F)c1
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More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611466
PNG
(CHEMBL5274042)
Show SMILES Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
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More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611482
PNG
(CHEMBL5285343)
Show SMILES CCNC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50611482
PNG
(CHEMBL5285343)
Show SMILES CCNC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 198n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50611482
PNG
(CHEMBL5285343)
Show SMILES CCNC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
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More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50611483
PNG
(CHEMBL5277394)
Show SMILES COCCNC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
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n/an/a 243n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50611483
PNG
(CHEMBL5277394)
Show SMILES COCCNC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50611483
PNG
(CHEMBL5277394)
Show SMILES COCCNC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
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More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50611482
PNG
(CHEMBL5285343)
Show SMILES CCNC(=O)Nc1ccc(cn1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
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Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611463
PNG
(CHEMBL5286164)
Show SMILES CN(c1cc(cnc1Cl)-c1ccc(N)nc1)S(=O)(=O)c1ccccc1
PDB
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n/an/a 1.13E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611468
PNG
(CHEMBL5281587)
Show SMILES Nc1ccc(cn1)-c1cnc(Cl)c(N)c1
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n/an/a 3.25E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611476
PNG
(CHEMBL5282045)
Show SMILES Nc1ccc(cn1)-c1cnc(C#N)c(N)c1
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n/an/a 3.35E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611472
PNG
(CHEMBL5270285)
Show SMILES Nc1ccc(cn1)-c1cnc(Cl)c(c1)C(F)(F)F
PDB
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n/an/a 4.66E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611469
PNG
(CHEMBL5272410)
Show SMILES Nc1ccc(cn1)-c1ccc(Cl)nc1
PDB
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n/an/a 4.75E+4n/an/an/an/an/an/a


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Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611471
PNG
(CHEMBL5266503)
Show SMILES Nc1ccc(cn1)-c1cnc(Cl)c(c1)C#N
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n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611479
PNG
(CHEMBL5290765)
Show SMILES CCOc1ncc(cc1N)-c1ccc(N)nc1
PDB
MMDB

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PC sid
UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611478
PNG
(CHEMBL5278908)
Show SMILES COc1ncc(cc1N)-c1ccc(N)nc1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611477
PNG
(CHEMBL5289417)
Show SMILES Cc1ncc(cc1N)-c1ccc(N)nc1
PDB
MMDB

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UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611475
PNG
(CHEMBL5277136)
Show SMILES Nc1ccc(cn1)-c1cnc(F)c(N)c1
PDB
MMDB

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UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611474
PNG
(CHEMBL5271533)
Show SMILES Nc1ccc(cn1)-c1cnc(N)c(N)c1
PDB
MMDB

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UniChem
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611470
PNG
(CHEMBL5289324)
Show SMILES Nc1ccc(cn1)-c1cnc(Cl)c(F)c1
PDB
MMDB

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PC cid
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UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50611473
PNG
(CHEMBL5279499)
Show SMILES Nc1cncc(c1)-c1ccc(N)nc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair