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5 similar compounds to monomer 50239733

Compile data set for download or QSAR
Wt: 490.4
BDBM50239740
Wt: 412.8
BDBM50239729
Wt: 504.3
BDBM50239730
Wt: 426.8
BDBM50239731
Wt: 447.3
BDBM50239734

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50239740,50239729,50239730,50239731,50239734   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239730
PNG
(CHEMBL4093883 | US10214537, Example 550)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(I)c2c(N)ncnn12
Show InChI InChI=1S/C20H21IN6O2/c1-12(28)26-8-7-25(19(29)20(26,2)3)14-6-4-5-13(9-14)16-10-15(21)17-18(22)23-11-24-27(16)17/h4-6,9-11H,7-8H2,1-3H3,(H2,22,23,24)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239740
PNG
(CHEMBL4092344 | US10214537, Example 625)
Show SMILES CC(O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1/C23H25F3N6O3/c1-12(33)15-6-5-14(9-18(15)30-7-8-31(13(2)34)22(3,4)21(30)35)17-10-16(23(24,25)26)19-20(27)28-11-29-32(17)19/h5-6,9-12,33H,7-8H2,1-4H3,(H2,27,28,29)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239740
PNG
(CHEMBL4092344 | US10214537, Example 625)
Show SMILES CC(O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1/C23H25F3N6O3/c1-12(33)15-6-5-14(9-18(15)30-7-8-31(13(2)34)22(3,4)21(30)35)17-10-16(23(24,25)26)19-20(27)28-11-29-32(17)19/h5-6,9-12,33H,7-8H2,1-4H3,(H2,27,28,29)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239734
PNG
(CHEMBL4097222 | US10214537, Example 628)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1Cl)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C20H20Cl2N6O2/c1-11(29)27-7-6-26(19(30)20(27,2)3)16-8-12(4-5-13(16)21)15-9-14(22)17-18(23)24-10-25-28(15)17/h4-5,8-10H,6-7H2,1-3H3,(H2,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239729
PNG
(CHEMBL4086128 | US10214537, Example 581)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C20H21ClN6O2/c1-12(28)26-8-7-25(19(29)20(26,2)3)14-6-4-5-13(9-14)16-10-15(21)17-18(22)23-11-24-27(16)17/h4-6,9-11H,7-8H2,1-3H3,(H2,22,23,24)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239730
PNG
(CHEMBL4093883 | US10214537, Example 550)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(I)c2c(N)ncnn12
Show InChI InChI=1S/C20H21IN6O2/c1-12(28)26-8-7-25(19(29)20(26,2)3)14-6-4-5-13(9-14)16-10-15(21)17-18(22)23-11-24-27(16)17/h4-6,9-11H,7-8H2,1-3H3,(H2,22,23,24)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239731
PNG
(CHEMBL4088567)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(-c2cc(Cl)c3c(N)ncnn23)c1C
Show InChI InChI=1S/C21H23ClN6O2/c1-12-14(17-10-15(22)18-19(23)24-11-25-28(17)18)6-5-7-16(12)26-8-9-27(13(2)29)21(3,4)20(26)30/h5-7,10-11H,8-9H2,1-4H3,(H2,23,24,25)
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239734
PNG
(CHEMBL4097222 | US10214537, Example 628)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1Cl)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C20H20Cl2N6O2/c1-11(29)27-7-6-26(19(30)20(27,2)3)16-8-12(4-5-13(16)21)15-9-14(22)17-18(23)24-10-25-28(15)17/h4-5,8-10H,6-7H2,1-3H3,(H2,23,24,25)
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n/an/a 1.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239740
PNG
(CHEMBL4092344 | US10214537, Example 625)
Show SMILES CC(O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1/C23H25F3N6O3/c1-12(33)15-6-5-14(9-18(15)30-7-8-31(13(2)34)22(3,4)21(30)35)17-10-16(23(24,25)26)19-20(27)28-11-29-32(17)19/h5-6,9-12,33H,7-8H2,1-4H3,(H2,27,28,29)
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n/an/a 3.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239734
PNG
(CHEMBL4097222 | US10214537, Example 628)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1Cl)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C20H20Cl2N6O2/c1-11(29)27-7-6-26(19(30)20(27,2)3)16-8-12(4-5-13(16)21)15-9-14(22)17-18(23)24-10-25-28(15)17/h4-5,8-10H,6-7H2,1-3H3,(H2,23,24,25)
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n/an/a 300n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239740
PNG
(CHEMBL4092344 | US10214537, Example 625)
Show SMILES CC(O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1/C23H25F3N6O3/c1-12(33)15-6-5-14(9-18(15)30-7-8-31(13(2)34)22(3,4)21(30)35)17-10-16(23(24,25)26)19-20(27)28-11-29-32(17)19/h5-6,9-12,33H,7-8H2,1-4H3,(H2,27,28,29)
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239729
PNG
(CHEMBL4086128 | US10214537, Example 581)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C20H21ClN6O2/c1-12(28)26-8-7-25(19(29)20(26,2)3)14-6-4-5-13(9-14)16-10-15(21)17-18(22)23-11-24-27(16)17/h4-6,9-11H,7-8H2,1-3H3,(H2,22,23,24)
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n/an/a 95n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239730
PNG
(CHEMBL4093883 | US10214537, Example 550)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(I)c2c(N)ncnn12
Show InChI InChI=1S/C20H21IN6O2/c1-12(28)26-8-7-25(19(29)20(26,2)3)14-6-4-5-13(9-14)16-10-15(21)17-18(22)23-11-24-27(16)17/h4-6,9-11H,7-8H2,1-3H3,(H2,22,23,24)
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239734
PNG
(CHEMBL4097222 | US10214537, Example 628)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1Cl)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C20H20Cl2N6O2/c1-11(29)27-7-6-26(19(30)20(27,2)3)16-8-12(4-5-13(16)21)15-9-14(22)17-18(23)24-10-25-28(15)17/h4-5,8-10H,6-7H2,1-3H3,(H2,23,24,25)
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n/an/a 370n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50239729
PNG
(CHEMBL4086128 | US10214537, Example 581)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C20H21ClN6O2/c1-12(28)26-8-7-25(19(29)20(26,2)3)14-6-4-5-13(9-14)16-10-15(21)17-18(22)23-11-24-27(16)17/h4-6,9-11H,7-8H2,1-3H3,(H2,22,23,24)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair