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Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'hollinger' and Initial = 'fp'   
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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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 4.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]QNB from human Muscarinic m1 receptor in CHO cells.

Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM81901
PNG
(AF-DX 384 | CAS_119356 | CHEMBL279453 | NSC_119356)
Show SMILES CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
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 5.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]-QNB from human Muscarinic m2 receptor in CHO cells.

Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM81901
PNG
(AF-DX 384 | CAS_119356 | CHEMBL279453 | NSC_119356)
Show SMILES CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
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 12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]QNB from human Muscarinic m1 receptor in CHO cells.

Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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 52n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]-QNB from human Muscarinic m2 receptor in CHO cells.

Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50289120
PNG
(4-Methyl-1-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyr...)
Show SMILES CC1CC[NH+](CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 |(12.85,-13.4,;12.69,-11.8,;11.32,-11.17,;11.19,-9.63,;12.48,-8.72,;12.36,-7.22,;10.96,-6.53,;9.68,-7.39,;10.84,-4.96,;12.17,-4.19,;13.39,-5.12,;14.84,-4.54,;15.03,-3.07,;13.83,-2.1,;12.39,-2.69,;11.35,-1.55,;11.88,-.08,;9.79,-1.68,;8.93,-2.98,;7.41,-2.67,;6.4,-3.79,;6.89,-5.24,;8.36,-5.55,;9.4,-4.42,;13.86,-9.38,;13.99,-10.92,)|
Show InChI InChI=1S/C20H22N4O2/c1-14-8-11-23(12-9-14)13-18(25)24-17-7-3-2-5-15(17)20(26)22-16-6-4-10-21-19(16)24/h2-7,10,14H,8-9,11-13H2,1H3,(H,22,26)/p+1
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 71n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]-QNB from human Muscarinic m2 receptor in CHO cells.

Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50289120
PNG
(4-Methyl-1-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyr...)
Show SMILES CC1CC[NH+](CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 |(12.85,-13.4,;12.69,-11.8,;11.32,-11.17,;11.19,-9.63,;12.48,-8.72,;12.36,-7.22,;10.96,-6.53,;9.68,-7.39,;10.84,-4.96,;12.17,-4.19,;13.39,-5.12,;14.84,-4.54,;15.03,-3.07,;13.83,-2.1,;12.39,-2.69,;11.35,-1.55,;11.88,-.08,;9.79,-1.68,;8.93,-2.98,;7.41,-2.67,;6.4,-3.79,;6.89,-5.24,;8.36,-5.55,;9.4,-4.42,;13.86,-9.38,;13.99,-10.92,)|
Show InChI InChI=1S/C20H22N4O2/c1-14-8-11-23(12-9-14)13-18(25)24-17-7-3-2-5-15(17)20(26)22-16-6-4-10-21-19(16)24/h2-7,10,14H,8-9,11-13H2,1H3,(H,22,26)/p+1
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 82n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]QNB from human Muscarinic m1 receptor in CHO cells.

Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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 179n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]QNB from human Muscarinic m1 receptor in CHO cells.

Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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 251n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for displacement of [3H]-QNB from human Muscarinic m2 receptor in CHO cells.

Bioorg Med Chem Lett 6: 785-788 (1996)


Article DOI: 10.1016/0960-894X(96)00107-2
BindingDB Entry DOI: 10.7270/Q23B60MB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107393
PNG
(CHEMBL3601472)
Show SMILES CS(=O)(=O)NCc1ccc2c(nc(nn12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C16H20N8O3S/c1-28(25,26)20-10-12-2-3-13-15(23-4-6-27-7-5-23)21-14(22-24(12)13)11-8-18-16(17)19-9-11/h2-3,8-9,20H,4-7,10H2,1H3,(H2,17,18,19)
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n/an/a 20n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107389
PNG
(CHEMBL3601476)
Show SMILES CN(C)Cc1ccc2c(nc(nn12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C17H22N8O/c1-23(2)11-13-3-4-14-16(24-5-7-26-8-6-24)21-15(22-25(13)14)12-9-19-17(18)20-10-12/h3-4,9-10H,5-8,11H2,1-2H3,(H2,18,19,20)
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n/an/a 20n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107387
PNG
(CHEMBL3601478)
Show SMILES COCc1ccc2c(nc(nn12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C16H19N7O2/c1-24-10-12-2-3-13-15(22-4-6-25-7-5-22)20-14(21-23(12)13)11-8-18-16(17)19-9-11/h2-3,8-9H,4-7,10H2,1H3,(H2,17,18,19)
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n/an/a 30n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107381
PNG
(CHEMBL3601465)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccn2n1
Show InChI InChI=1S/C14H15N7O/c15-14-16-8-10(9-17-14)12-18-13(20-4-6-22-7-5-20)11-2-1-3-21(11)19-12/h1-3,8-9H,4-7H2,(H2,15,16,17)
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n/an/a 50n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151848
PNG
(CHEMBL3774827)
Show SMILES CN(C)C(=O)N1CCC(CC1)Oc1nc(nc(n1)-c1cccc2[nH]ncc12)N1CCOCC1
Show InChI InChI=1S/C22H28N8O3/c1-28(2)22(31)30-8-6-15(7-9-30)33-21-25-19(16-4-3-5-18-17(16)14-23-27-18)24-20(26-21)29-10-12-32-13-11-29/h3-5,14-15H,6-13H2,1-2H3,(H,23,27)
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n/an/a 60n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151845
PNG
(CHEMBL3775504)
Show SMILES CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cccc3[nH]ncc23)N2CCOCC2)cc1
Show InChI InChI=1S/C23H23N7O3/c1-29(2)21(31)15-6-8-16(9-7-15)33-23-26-20(17-4-3-5-19-18(17)14-24-28-19)25-22(27-23)30-10-12-32-13-11-30/h3-9,14H,10-13H2,1-2H3,(H,24,28)
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n/an/a 60n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151847
PNG
(CHEMBL3775875)
Show SMILES CN(C)C(=O)[C@H]1CC[C@@H](CC1)Oc1nc(nc(n1)-c1cccc2[nH]ncc12)N1CCOCC1 |r,wU:8.11,wD:5.4,(-11.42,3.33,;-10.35,3.94,;-10.34,5.17,;-9.02,3.16,;-9.03,1.93,;-7.68,3.92,;-6.35,3.14,;-5.01,3.9,;-5,5.44,;-6.33,6.22,;-7.67,5.46,;-3.66,6.2,;-2.34,5.42,;-.99,6.17,;.33,5.39,;.32,3.85,;-1.02,3.09,;-2.35,3.88,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;1.67,6.15,;3,5.37,;4.34,6.13,;4.35,7.67,;3.03,8.45,;1.69,7.69,)|
Show InChI InChI=1S/C23H29N7O3/c1-29(2)21(31)15-6-8-16(9-7-15)33-23-26-20(17-4-3-5-19-18(17)14-24-28-19)25-22(27-23)30-10-12-32-13-11-30/h3-5,14-16H,6-13H2,1-2H3,(H,24,28)/t15-,16-
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n/an/a 60n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151730
PNG
(CHEMBL3775985)
Show SMILES CN(C)C(=O)c1cccc(Nc2nc(nc(n2)-c2cccc3[nH]ncc23)N2CCOCC2)c1
Show InChI InChI=1S/C23H24N8O2/c1-30(2)21(32)15-5-3-6-16(13-15)25-22-26-20(17-7-4-8-19-18(17)14-24-29-19)27-23(28-22)31-9-11-33-12-10-31/h3-8,13-14H,9-12H2,1-2H3,(H,24,29)(H,25,26,27,28)
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n/an/a 60n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107394
PNG
(CHEMBL3601471)
Show SMILES NCc1ccc2c(nc(nn12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C15H18N8O/c16-7-11-1-2-12-14(22-3-5-24-6-4-22)20-13(21-23(11)12)10-8-18-15(17)19-9-10/h1-2,8-9H,3-7,16H2,(H2,17,18,19)
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Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151755
PNG
(CHEMBL3775119)
Show SMILES NC(=O)c1cccc(Nc2nc(nc(n2)-c2cccc3[nH]ncc23)N2CCOCC2)c1
Show InChI InChI=1S/C28H34N6O8S2/c1-15-9-19(35)10-16(2)20(15)7-8-24(36)32-23-14-44-43-13-22(26(29)38)33-28(40)21(31-25(37)12-30-27(23)39)11-17-3-5-18(6-4-17)34(41)42/h3-6,9-10,21-23,35H,7-8,11-14H2,1-2H3,(H2,29,38)(H,30,39)(H,31,37)(H,32,36)(H,33,40)/t21-,22+,23-/m0/s1
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Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151754
PNG
(CHEMBL3775230)
Show SMILES CNc1cccc(Nc2nc(nc(n2)-c2cccc3[nH]ncc23)N2CCOCC2)c1
Show InChI InChI=1S/C29H36N6O8S2/c1-15-8-20(36)9-16(2)26(15)17(3)10-24(37)33-23-14-45-44-13-22(27(30)39)34-29(41)21(32-25(38)12-31-28(23)40)11-18-4-6-19(7-5-18)35(42)43/h4-9,17,21-23,36H,10-14H2,1-3H3,(H2,30,39)(H,31,40)(H,32,38)(H,33,37)(H,34,41)/t17-,21+,22-,23+/m1/s1
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Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107384
PNG
(CHEMBL3601895)
Show SMILES COCc1ccc2c(nc(nn12)-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C17H21N7O2/c1-11-9-26-6-5-23(11)16-14-4-3-13(10-25-2)24(14)22-15(21-16)12-7-19-17(18)20-8-12/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,18,19,20)/t11-/m0/s1
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Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107380
PNG
(CHEMBL3601466)
Show SMILES Nc1ncc(-c2nc(N3CCOCC3)c3cccn3n2)c(n1)C(F)(F)F
Show InChI InChI=1S/C15H14F3N7O/c16-15(17,18)11-9(8-20-14(19)21-11)12-22-13(24-4-6-26-7-5-24)10-2-1-3-25(10)23-12/h1-3,8H,4-7H2,(H2,19,20,21)
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Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151846
PNG
(CHEMBL3774677)
Show SMILES CN(C)C(=O)c1cc(Oc2nc(nc(n2)-c2cccc3[nH]ncc23)N2CCOCC2)cs1
Show InChI InChI=1S/C21H21N7O3S/c1-27(2)19(29)17-10-13(12-32-17)31-21-24-18(14-4-3-5-16-15(14)11-22-26-16)23-20(25-21)28-6-8-30-9-7-28/h3-5,10-12H,6-9H2,1-2H3,(H,22,26)
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Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107391
PNG
(CHEMBL3601474)
Show SMILES CC(=O)NCc1ccc2c(nc(nn12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C17H20N8O2/c1-11(26)19-10-13-2-3-14-16(24-4-6-27-7-5-24)22-15(23-25(13)14)12-8-20-17(18)21-9-12/h2-3,8-9H,4-7,10H2,1H3,(H,19,26)(H2,18,20,21)
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Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107385
PNG
(CHEMBL3601894)
Show SMILES CN(C)C(=O)c1ccc2c(nc(nn12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C17H20N8O2/c1-23(2)16(26)13-4-3-12-15(24-5-7-27-8-6-24)21-14(22-25(12)13)11-9-19-17(18)20-10-11/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19,20)
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Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151728
PNG
(CHEMBL3774605)
Show SMILES O=C1CCN(CCN1)c1nc(nc(n1)-c1cccc2[nH]ncc12)N1CCOCC1
Show InChI InChI=1S/C19H22N8O2/c28-16-4-6-26(7-5-20-16)18-22-17(13-2-1-3-15-14(13)12-21-25-15)23-19(24-18)27-8-10-29-11-9-27/h1-3,12H,4-11H2,(H,20,28)(H,21,25)
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Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151729
PNG
(CHEMBL3775200)
Show SMILES CN(C)C(=O)c1sccc1Nc1nc(nc(n1)-c1cccc2[nH]ncc12)N1CCOCC1
Show InChI InChI=1S/C21H22N8O2S/c1-28(2)19(30)17-16(6-11-32-17)23-20-24-18(13-4-3-5-15-14(13)12-22-27-15)25-21(26-20)29-7-9-31-10-8-29/h3-6,11-12H,7-10H2,1-2H3,(H,22,27)(H,23,24,25,26)
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Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107379
PNG
(CHEMBL3601467)
Show SMILES Nc1ccc(cn1)-c1nc(N2CCOCC2)c2cccn2n1
Show InChI InChI=1S/C15H16N6O/c16-13-4-3-11(10-17-13)14-18-15(20-6-8-22-9-7-20)12-2-1-5-21(12)19-14/h1-5,10H,6-9H2,(H2,16,17)
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Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151756
PNG
(CHEMBL3774843)
Show SMILES NC(=O)c1cccc(Oc2nc(nc(n2)-c2cccc3[nH]ncc23)N2CCOCC2)c1
Show InChI InChI=1S/C29H36N6O8S2/c1-15-8-20(36)9-16(2)26(15)17(3)10-24(37)33-23-14-45-44-13-22(27(30)39)34-29(41)21(32-25(38)12-31-28(23)40)11-18-4-6-19(7-5-18)35(42)43/h4-9,17,21-23,36H,10-14H2,1-3H3,(H2,30,39)(H,31,40)(H,32,38)(H,33,37)(H,34,41)/t17-,21-,22+,23-/m0/s1
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Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107390
PNG
(CHEMBL3601475)
Show SMILES CN1CCN(Cc2ccc3c(nc(nn23)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C20H27N9O/c1-26-4-6-27(7-5-26)14-16-2-3-17-19(28-8-10-30-11-9-28)24-18(25-29(16)17)15-12-22-20(21)23-13-15/h2-3,12-13H,4-11,14H2,1H3,(H2,21,22,23)
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Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107386
PNG
(CHEMBL3601479)
Show SMILES CC(C)C(O)Cc1ccc2c(nc(nn12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H25N7O2/c1-12(2)16(27)9-14-3-4-15-18(25-5-7-28-8-6-25)23-17(24-26(14)15)13-10-21-19(20)22-11-13/h3-4,10-12,16,27H,5-9H2,1-2H3,(H2,20,21,22)
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Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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Locus Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against p38alpha MAPK

Bioorg Med Chem Lett 15: 5274-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.038
BindingDB Entry DOI: 10.7270/Q24J0DP9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107392
PNG
(CHEMBL3601473)
Show SMILES CN(C)C(=O)NCc1ccc2c(nc(nn12)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C18H23N9O2/c1-25(2)18(28)22-11-13-3-4-14-16(26-5-7-29-8-6-26)23-15(24-27(13)14)12-9-20-17(19)21-10-12/h3-4,9-10H,5-8,11H2,1-2H3,(H,22,28)(H2,19,20,21)
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Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107377
PNG
(CHEMBL3601469)
Show SMILES C1CN(CCO1)c1nc(nn2cccc12)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C17H16N6O/c1-2-14-17(22-8-10-24-11-9-22)20-16(21-23(14)7-1)13-4-6-19-15-12(13)3-5-18-15/h1-7H,8-11H2,(H,18,19)
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Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50174086
PNG
(CHEMBL198470 | N-(3-hydroxy-4-(1-hydroxy-2-methylp...)
Show SMILES CC(C)(CO)c1ccc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cc1O
Show InChI InChI=1S/C24H24ClNO4/c1-24(2,15-27)21-12-3-16(13-22(21)28)14-26-23(29)17-4-8-19(9-5-17)30-20-10-6-18(25)7-11-20/h3-13,27-28H,14-15H2,1-2H3,(H,26,29)
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Locus Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against p38alpha MAPK

Bioorg Med Chem Lett 15: 5274-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.038
BindingDB Entry DOI: 10.7270/Q24J0DP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151727
PNG
(CHEMBL3774899)
Show SMILES O=C1CN(CCN1)c1nc(nc(n1)-c1cccc2[nH]ncc12)N1CCOCC1
Show InChI InChI=1S/C18H20N8O2/c27-15-11-26(5-4-19-15)18-22-16(12-2-1-3-14-13(12)10-20-24-14)21-17(23-18)25-6-8-28-9-7-25/h1-3,10H,4-9,11H2,(H,19,27)(H,20,24)
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n/an/a 400n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50174085
PNG
(CHEMBL198563 | N-(3-(trifluoromethyl)benzyl)-4-phe...)
Show SMILES FC(F)(F)c1cccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)c1
Show InChI InChI=1S/C21H16F3NO2/c22-21(23,24)17-6-4-5-15(13-17)14-25-20(26)16-9-11-19(12-10-16)27-18-7-2-1-3-8-18/h1-13H,14H2,(H,25,26)
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n/an/a 450n/an/an/an/an/an/a



Locus Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against p38alpha MAPK

Bioorg Med Chem Lett 15: 5274-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.038
BindingDB Entry DOI: 10.7270/Q24J0DP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151711
PNG
(CHEMBL3775032)
Show SMILES CN(C)C(=O)CNc1nc(nc(n1)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C17H22N6O3/c1-22(2)14(25)11-18-16-19-15(12-4-3-5-13(24)10-12)20-17(21-16)23-6-8-26-9-7-23/h3-5,10,24H,6-9,11H2,1-2H3,(H,18,19,20,21)
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n/an/a 540n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50174095
PNG
(CHEMBL198832 | N-(3-(trifluoromethoxy)benzyl)-4-ph...)
Show SMILES FC(F)(F)Oc1cccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)c1
Show InChI InChI=1S/C21H16F3NO3/c22-21(23,24)28-19-8-4-5-15(13-19)14-25-20(26)16-9-11-18(12-10-16)27-17-6-2-1-3-7-17/h1-13H,14H2,(H,25,26)
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n/an/a 600n/an/an/an/an/an/a



Locus Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against p38alpha MAPK

Bioorg Med Chem Lett 15: 5274-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.038
BindingDB Entry DOI: 10.7270/Q24J0DP9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151726
PNG
(CHEMBL3775133)
Show SMILES CN(C)C(=O)CCNc1nc(nc(n1)-c1cccc2[nH]ncc12)N1CCOCC1
Show InChI InChI=1S/C19H24N8O2/c1-26(2)16(28)6-7-20-18-22-17(13-4-3-5-15-14(13)12-21-25-15)23-19(24-18)27-8-10-29-11-9-27/h3-5,12H,6-11H2,1-2H3,(H,21,25)(H,20,22,23,24)
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n/an/a 600n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151713
PNG
(CHEMBL3775646)
Show SMILES Nc1nc(nc(n1)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C13H15N5O2/c14-12-15-11(9-2-1-3-10(19)8-9)16-13(17-12)18-4-6-20-7-5-18/h1-3,8,19H,4-7H2,(H2,14,15,16,17)
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n/an/a 680n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151710
PNG
(CHEMBL3775745)
Show SMILES CNC(=O)CNc1nc(nc(n1)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C16H20N6O3/c1-17-13(24)10-18-15-19-14(11-3-2-4-12(23)9-11)20-16(21-15)22-5-7-25-8-6-22/h2-4,9,23H,5-8,10H2,1H3,(H,17,24)(H,18,19,20,21)
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n/an/a 730n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151700
PNG
(CHEMBL3774579)
Show SMILES NC(=O)CNc1nc(nc(n1)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C15H18N6O3/c16-12(23)9-17-14-18-13(10-2-1-3-11(22)8-10)19-15(20-14)21-4-6-24-7-5-21/h1-3,8,22H,4-7,9H2,(H2,16,23)(H,17,18,19,20)
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n/an/a 740n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151849
PNG
(CHEMBL3774907)
Show SMILES C1CN(CCO1)c1nc(Nc2ccccc2)nc(n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C20H19N7O/c1-2-5-14(6-3-1)22-19-23-18(15-7-4-8-17-16(15)13-21-26-17)24-20(25-19)27-9-11-28-12-10-27/h1-8,13H,9-12H2,(H,21,26)(H,22,23,24,25)
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n/an/a 800n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151712
PNG
(CHEMBL3775341)
Show SMILES CS(=O)(=O)N1CCN(CNc2nc(nc(n2)-c2cccc(O)c2)N2CCOCC2)CC1
Show InChI InChI=1S/C19H27N7O4S/c1-31(28,29)26-7-5-24(6-8-26)14-20-18-21-17(15-3-2-4-16(27)13-15)22-19(23-18)25-9-11-30-12-10-25/h2-4,13,27H,5-12,14H2,1H3,(H,20,21,22,23)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151716
PNG
(CHEMBL3775141)
Show SMILES CN(C)C(=O)CNc1nc(nc(n1)-c1cccc2[nH]ncc12)N1CCOCC1
Show InChI InChI=1S/C18H22N8O2/c1-25(2)15(27)11-19-17-21-16(12-4-3-5-14-13(12)10-20-24-14)22-18(23-17)26-6-8-28-9-7-26/h3-5,10H,6-9,11H2,1-2H3,(H,20,24)(H,19,21,22,23)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50107378
PNG
(CHEMBL3601468)
Show SMILES C1CN(CCO1)c1nc(nn2cccc12)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C17H16N6O/c1-3-12(13-11-18-20-14(13)4-1)16-19-17(22-7-9-24-10-8-22)15-5-2-6-23(15)21-16/h1-6,11H,7-10H2,(H,18,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay

Bioorg Med Chem Lett 25: 3142-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.007
BindingDB Entry DOI: 10.7270/Q2JQ12SB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50151667
PNG
(CHEMBL3774664)
Show SMILES COC(=O)CNc1nc(nc(n1)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C16H19N5O4/c1-24-13(23)10-17-15-18-14(11-3-2-4-12(22)9-11)19-16(20-15)21-5-7-25-8-6-21/h2-4,9,22H,5-8,10H2,1H3,(H,17,18,19,20)
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n/an/a 1.18E+3n/an/an/an/an/an/a



Sphaera Pharma Pte. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate additio...

ACS Med Chem Lett 6: 1190-4 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00322
BindingDB Entry DOI: 10.7270/Q2930W23
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50174098
PNG
(CHEMBL197228 | N-((2,3-dihydro-1H-inden-5-yl)methy...)
Show SMILES O=C(NCc1ccc2CCCc2c1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H21NO2/c25-23(24-16-17-9-10-18-5-4-6-20(18)15-17)19-11-13-22(14-12-19)26-21-7-2-1-3-8-21/h1-3,7-15H,4-6,16H2,(H,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Locus Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against p38alpha MAPK

Bioorg Med Chem Lett 15: 5274-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.038
BindingDB Entry DOI: 10.7270/Q24J0DP9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50174090
PNG
(CHEMBL199074 | N-(4-(trifluoromethyl)benzyl)-4-phe...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C21H16F3NO2/c22-21(23,24)17-10-6-15(7-11-17)14-25-20(26)16-8-12-19(13-9-16)27-18-4-2-1-3-5-18/h1-13H,14H2,(H,25,26)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Locus Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against p38alpha MAPK

Bioorg Med Chem Lett 15: 5274-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.038
BindingDB Entry DOI: 10.7270/Q24J0DP9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50174097
PNG
(4-phenoxy-N-(pyridin-2-ylmethyl)benzamide | CHEMBL...)
Show SMILES O=C(NCc1ccccn1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O2/c22-19(21-14-16-6-4-5-13-20-16)15-9-11-18(12-10-15)23-17-7-2-1-3-8-17/h1-13H,14H2,(H,21,22)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Locus Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against p38alpha MAPK

Bioorg Med Chem Lett 15: 5274-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.038
BindingDB Entry DOI: 10.7270/Q24J0DP9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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