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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'cornebise' and Initial = 'm'   
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 gamma isoform


(Homo sapiens (Human))
BDBM50044290
PNG
(CHEMBL3356889)
Show SMILES COc1cc(cnc1OC)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C16H15N3O3S/c1-9(20)18-16-19-12-5-4-10(7-14(12)23-16)11-6-13(21-2)15(22-3)17-8-11/h4-8H,1-3H3,(H,18,19,20)
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1n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044280
PNG
(CHEMBL3356896)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCC(=O)NCC(F)(F)F)sc2c1
Show InChI InChI=1S/C19H18F3N5O3S/c1-30-13-6-12(8-23-9-13)11-2-3-14-15(7-11)31-18(26-14)27-17(29)24-5-4-16(28)25-10-19(20,21)22/h2-3,6-9H,4-5,10H2,1H3,(H,25,28)(H2,24,26,27,29)
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1n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044287
PNG
(CHEMBL3356900)
Show SMILES CCCn1cnc(CCNC(=O)Nc2nc3ccc(cc3s2)-c2cncc(OC)c2)c1
Show InChI InChI=1S/C22H24N6O2S/c1-3-8-28-13-17(25-14-28)6-7-24-21(29)27-22-26-19-5-4-15(10-20(19)31-22)16-9-18(30-2)12-23-11-16/h4-5,9-14H,3,6-8H2,1-2H3,(H2,24,26,27,29)
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2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044277
PNG
(CHEMBL3356899)
Show SMILES CCn1cnc(CCNC(=O)Nc2nc3ccc(cc3s2)-c2cncc(OC)c2)c1
Show InChI InChI=1S/C21H22N6O2S/c1-3-27-12-16(24-13-27)6-7-23-20(28)26-21-25-18-5-4-14(9-19(18)30-21)15-8-17(29-2)11-22-10-15/h4-5,8-13H,3,6-7H2,1-2H3,(H2,23,25,26,28)
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2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044295
PNG
(CHEMBL3356884)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C15H13N3O2S/c1-9(19)17-15-18-13-4-3-10(6-14(13)21-15)11-5-12(20-2)8-16-7-11/h3-8H,1-2H3,(H,17,18,19)
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4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044279
PNG
(CHEMBL3356897)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCc3c[nH]cn3)sc2c1
Show InChI InChI=1S/C19H18N6O2S/c1-27-15-6-13(8-20-10-15)12-2-3-16-17(7-12)28-19(24-16)25-18(26)22-5-4-14-9-21-11-23-14/h2-3,6-11H,4-5H2,1H3,(H,21,23)(H2,22,24,25,26)
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5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044281
PNG
(CHEMBL3356895)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCC(=O)NCC(F)(F)F)sc2c1
Show InChI InChI=1S/C18H16F3N5O3S/c1-29-12-4-11(6-22-7-12)10-2-3-13-14(5-10)30-17(25-13)26-16(28)23-8-15(27)24-9-18(19,20)21/h2-7H,8-9H2,1H3,(H,24,27)(H2,23,25,26,28)
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6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044294
PNG
(CHEMBL3356885)
Show SMILES CCOc1cncc(c1)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C16H15N3O2S/c1-3-21-13-6-12(8-17-9-13)11-4-5-14-15(7-11)22-16(19-14)18-10(2)20/h4-9H,3H2,1-2H3,(H,18,19,20)
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6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50044281
PNG
(CHEMBL3356895)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCC(=O)NCC(F)(F)F)sc2c1
Show InChI InChI=1S/C18H16F3N5O3S/c1-29-12-4-11(6-22-7-12)10-2-3-13-14(5-10)30-17(25-13)26-16(28)23-8-15(27)24-9-18(19,20)21/h2-7H,8-9H2,1H3,(H,24,27)(H2,23,25,26,28)
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7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044283
PNG
(CHEMBL3356893)
Show SMILES CCNC(=O)Nc1nc2ccc(cc2s1)-c1cncc(OC)c1
Show InChI InChI=1S/C16H16N4O2S/c1-3-18-15(21)20-16-19-13-5-4-10(7-14(13)23-16)11-6-12(22-2)9-17-8-11/h4-9H,3H2,1-2H3,(H2,18,19,20,21)
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7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
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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7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin)


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044278
PNG
(CHEMBL3356898)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCc3cn(C)cn3)sc2c1
Show InChI InChI=1S/C20H20N6O2S/c1-26-11-15(23-12-26)5-6-22-19(27)25-20-24-17-4-3-13(8-18(17)29-20)14-7-16(28-2)10-21-9-14/h3-4,7-12H,5-6H2,1-2H3,(H2,22,24,25,27)
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7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044284
PNG
(CHEMBL3356892)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)N(C)C)sc2c1
Show InChI InChI=1S/C16H16N4O2S/c1-20(2)16(21)19-15-18-13-5-4-10(7-14(13)23-15)11-6-12(22-3)9-17-8-11/h4-9H,1-3H3,(H,18,19,21)
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9n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044296
PNG
(CHEMBL3356883)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cncc(C)c1
Show InChI InChI=1S/C15H13N3OS/c1-9-5-12(8-16-7-9)11-3-4-13-14(6-11)20-15(18-13)17-10(2)19/h3-8H,1-2H3,(H,17,18,19)
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13n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50439713
PNG
(CHEMBL2418943)
Show SMILES COc1cc(cnc1N)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C15H14N4O2S/c1-8(20)18-15-19-11-4-3-9(6-13(11)22-15)10-5-12(21-2)14(16)17-7-10/h3-7H,1-2H3,(H2,16,17)(H,18,19,20)
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13n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50044284
PNG
(CHEMBL3356892)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)N(C)C)sc2c1
Show InChI InChI=1S/C16H16N4O2S/c1-20(2)16(21)19-15-18-13-5-4-10(7-14(13)23-15)11-6-12(22-3)9-17-8-11/h4-9H,1-3H3,(H,18,19,21)
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16n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044285
PNG
(CHEMBL3356902)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCOc3ccccc3)sc2c1
Show InChI InChI=1S/C22H20N4O3S/c1-28-18-11-16(13-23-14-18)15-7-8-19-20(12-15)30-22(25-19)26-21(27)24-9-10-29-17-5-3-2-4-6-17/h2-8,11-14H,9-10H2,1H3,(H2,24,25,26,27)
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19n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044289
PNG
(CHEMBL3356890)
Show SMILES CCc1ncc(cc1OC)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C17H17N3O2S/c1-4-13-15(22-3)7-12(9-18-13)11-5-6-14-16(8-11)23-17(20-14)19-10(2)21/h5-9H,4H2,1-3H3,(H,19,20,21)
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19n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50044279
PNG
(CHEMBL3356897)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCc3c[nH]cn3)sc2c1
Show InChI InChI=1S/C19H18N6O2S/c1-27-15-6-13(8-20-10-15)12-2-3-16-17(7-12)28-19(24-16)25-18(26)22-5-4-14-9-21-11-23-14/h2-3,6-11H,4-5H2,1H3,(H,21,23)(H2,22,24,25,26)
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20n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044288
PNG
(CHEMBL3356891)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc2nccnc2c1
Show InChI InChI=1S/C16H11N5OS/c1-9(22)20-16-21-12-3-2-10(7-14(12)23-16)11-6-13-15(19-8-11)18-5-4-17-13/h2-8H,1H3,(H,20,21,22)
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21n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044286
PNG
(CHEMBL3356901)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCc3cncn3C)sc2c1
Show InChI InChI=1S/C20H20N6O2S/c1-26-12-22-10-15(26)5-6-23-19(27)25-20-24-17-4-3-13(8-18(17)29-20)14-7-16(28-2)11-21-9-14/h3-4,7-12H,5-6H2,1-2H3,(H2,23,24,25,27)
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22n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044291
PNG
(CHEMBL3356888)
Show SMILES COc1ccc(cn1)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C15H13N3O2S/c1-9(19)17-15-18-12-5-3-10(7-13(12)21-15)11-4-6-14(20-2)16-8-11/h3-8H,1-2H3,(H,17,18,19)
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36n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044293
PNG
(CHEMBL3356886)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cncc(F)c1
Show InChI InChI=1S/C14H10FN3OS/c1-8(19)17-14-18-12-3-2-9(5-13(12)20-14)10-4-11(15)7-16-6-10/h2-7H,1H3,(H,17,18,19)
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36n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50439729
PNG
(CHEMBL2418961)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cccnc1
Show InChI InChI=1S/C14H11N3OS/c1-9(18)16-14-17-12-5-4-10(7-13(12)19-14)11-3-2-6-15-8-11/h2-8H,1H3,(H,16,17,18)
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39n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044292
PNG
(CHEMBL3356887)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cncc(c1)C#N
Show InChI InChI=1S/C15H10N4OS/c1-9(20)18-15-19-13-3-2-11(5-14(13)21-15)12-4-10(6-16)7-17-8-12/h2-5,7-8H,1H3,(H,18,19,20)
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44n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50044283
PNG
(CHEMBL3356893)
Show SMILES CCNC(=O)Nc1nc2ccc(cc2s1)-c1cncc(OC)c1
Show InChI InChI=1S/C16H16N4O2S/c1-3-18-15(21)20-16-19-13-5-4-10(7-14(13)23-16)11-6-12(22-2)9-17-8-11/h4-9H,3H2,1-2H3,(H2,18,19,20,21)
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52n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50044282
PNG
(CHEMBL3356894)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCCN(C)C)sc2c1
Show InChI InChI=1S/C19H23N5O2S/c1-24(2)8-4-7-21-18(25)23-19-22-16-6-5-13(10-17(16)27-19)14-9-15(26-3)12-20-11-14/h5-6,9-12H,4,7-8H2,1-3H3,(H2,21,22,23,25)
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56n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50044286
PNG
(CHEMBL3356901)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCc3cncn3C)sc2c1
Show InChI InChI=1S/C20H20N6O2S/c1-26-12-22-10-15(26)5-6-23-19(27)25-20-24-17-4-3-13(8-18(17)29-20)14-7-16(28-2)11-21-9-14/h3-4,7-12H,5-6H2,1-2H3,(H2,23,24,25,27)
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67n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50044280
PNG
(CHEMBL3356896)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCC(=O)NCC(F)(F)F)sc2c1
Show InChI InChI=1S/C19H18F3N5O3S/c1-30-13-6-12(8-23-9-13)11-2-3-14-15(7-11)31-18(26-14)27-17(29)24-5-4-16(28)25-10-19(20,21)22/h2-3,6-9H,4-5,10H2,1H3,(H,25,28)(H2,24,26,27,29)
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72n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50044278
PNG
(CHEMBL3356898)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCc3cn(C)cn3)sc2c1
Show InChI InChI=1S/C20H20N6O2S/c1-26-11-15(23-12-26)5-6-22-19(27)25-20-24-17-4-3-13(8-18(17)29-20)14-7-16(28-2)10-21-9-14/h3-4,7-12H,5-6H2,1-2H3,(H2,22,24,25,27)
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105n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50044277
PNG
(CHEMBL3356899)
Show SMILES CCn1cnc(CCNC(=O)Nc2nc3ccc(cc3s2)-c2cncc(OC)c2)c1
Show InChI InChI=1S/C21H22N6O2S/c1-3-27-12-16(24-13-27)6-7-23-20(28)26-21-25-18-5-4-14(9-19(18)30-21)15-8-17(29-2)11-22-10-15/h4-5,8-13H,3,6-7H2,1-2H3,(H2,23,25,26,28)
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113n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50044287
PNG
(CHEMBL3356900)
Show SMILES CCCn1cnc(CCNC(=O)Nc2nc3ccc(cc3s2)-c2cncc(OC)c2)c1
Show InChI InChI=1S/C22H24N6O2S/c1-3-8-28-13-17(25-14-28)6-7-24-21(29)27-22-26-19-5-4-15(10-20(19)31-22)16-9-18(30-2)12-23-11-16/h4-5,9-14H,3,6-8H2,1-2H3,(H2,24,26,27,29)
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132n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044282
PNG
(CHEMBL3356894)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCCN(C)C)sc2c1
Show InChI InChI=1S/C19H23N5O2S/c1-24(2)8-4-7-21-18(25)23-19-22-16-6-5-13(10-17(16)27-19)14-9-15(26-3)12-20-11-14/h5-6,9-12H,4,7-8H2,1-3H3,(H2,21,22,23,25)
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190n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50044297
PNG
(CHEMBL3356882)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccccc1
Show InChI InChI=1S/C15H12N2OS/c1-10(18)16-15-17-13-8-7-12(9-14(13)19-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)
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770n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50044285
PNG
(CHEMBL3356902)
Show SMILES COc1cncc(c1)-c1ccc2nc(NC(=O)NCCOc3ccccc3)sc2c1
Show InChI InChI=1S/C22H20N4O3S/c1-28-18-11-16(13-23-14-18)15-7-8-19-20(12-15)30-22(25-19)26-21(27)24-9-10-29-17-5-3-2-4-6-17/h2-8,11-14H,9-10H2,1H3,(H2,24,25,26,27)
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>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115187
PNG
(2-[2-carboxy-1-(3-methyl-1-(1-(2-Iodo-phenyl)-3-[4...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2I)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C30H38IN5O8/c1-16(2)13-22(27(40)34-23(15-25(38)39)28(41)36-26(17(3)4)29(42)43)33-24(37)14-18-9-11-19(12-10-18)32-30(44)35-21-8-6-5-7-20(21)31/h5-12,16-17,22-23,26H,13-15H2,1-4H3,(H,33,37)(H,34,40)(H,36,41)(H,38,39)(H,42,43)(H2,32,35,44)/t22-,23-,26-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115186
PNG
(3-(4-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetylamino}...)
Show SMILES CC(CC(O)=O)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)cc1
Show InChI InChI=1S/C26H27N3O4/c1-17-5-3-4-6-23(17)29-26(33)28-22-11-7-19(8-12-22)16-24(30)27-21-13-9-20(10-14-21)18(2)15-25(31)32/h3-14,18H,15-16H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)
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n/an/a 1.30n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115176
PNG
(2-Acetylamino-3-(4-{2-[4-(3-o-tolyl-ureido)-phenyl...)
Show SMILES CC(=O)NC(Cc1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)cc1)C(O)=O
Show InChI InChI=1S/C27H28N4O5/c1-17-5-3-4-6-23(17)31-27(36)30-22-13-9-20(10-14-22)16-25(33)29-21-11-7-19(8-12-21)15-24(26(34)35)28-18(2)32/h3-14,24H,15-16H2,1-2H3,(H,28,32)(H,29,33)(H,34,35)(H2,30,31,36)
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n/an/a 58n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115177
PNG
(CHEMBL103602 | [3-(3-{2-[4-(3-o-Tolyl-ureido)-phen...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2cccc(NC(=O)NCC(O)=O)c2)cc1
Show InChI InChI=1S/C25H25N5O5/c1-16-5-2-3-8-21(16)30-25(35)28-18-11-9-17(10-12-18)13-22(31)27-19-6-4-7-20(14-19)29-24(34)26-15-23(32)33/h2-12,14H,13,15H2,1H3,(H,27,31)(H,32,33)(H2,26,29,34)(H2,28,30,35)
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n/an/a 67n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115185
PNG
(CHEMBL101126 | [(6-{2-[4-(3-o-Tolyl-ureido)-phenyl...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2ccc3cnn(C(=O)NCC(O)=O)c3c2)cc1
Show InChI InChI=1S/C26H24N6O5/c1-16-4-2-3-5-21(16)31-25(36)30-19-9-6-17(7-10-19)12-23(33)29-20-11-8-18-14-28-32(22(18)13-20)26(37)27-15-24(34)35/h2-11,13-14H,12,15H2,1H3,(H,27,37)(H,29,33)(H,34,35)(H2,30,31,36)
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n/an/a 800n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115182
PNG
((3-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetylamino}-b...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2cccc(c2)C(=O)NCC(O)=O)cc1
Show InChI InChI=1S/C25H24N4O5/c1-16-5-2-3-8-21(16)29-25(34)28-19-11-9-17(10-12-19)13-22(30)27-20-7-4-6-18(14-20)24(33)26-15-23(31)32/h2-12,14H,13,15H2,1H3,(H,26,33)(H,27,30)(H,31,32)(H2,28,29,34)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115181
PNG
(3-Hydroxy-3-(3-{2-[4-(3-o-tolyl-ureido)-phenyl]-ac...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2cccc(c2)C(O)CC(O)=O)cc1
Show InChI InChI=1S/C25H25N3O5/c1-16-5-2-3-8-21(16)28-25(33)27-19-11-9-17(10-12-19)13-23(30)26-20-7-4-6-18(14-20)22(29)15-24(31)32/h2-12,14,22,29H,13,15H2,1H3,(H,26,30)(H,31,32)(H2,27,28,33)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115175
PNG
((5-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetylamino}-[...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2nnc(SCC(O)=O)s2)cc1
Show InChI InChI=1S/C20H19N5O4S2/c1-12-4-2-3-5-15(12)22-18(29)21-14-8-6-13(7-9-14)10-16(26)23-19-24-25-20(31-19)30-11-17(27)28/h2-9H,10-11H2,1H3,(H,27,28)(H2,21,22,29)(H,23,24,26)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115180
PNG
(3-(3-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetylamino}...)
Show SMILES CC(CC(O)=O)c1cccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)c1
Show InChI InChI=1S/C26H27N3O4/c1-17-6-3-4-9-23(17)29-26(33)28-21-12-10-19(11-13-21)15-24(30)27-22-8-5-7-20(16-22)18(2)14-25(31)32/h3-13,16,18H,14-15H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115183
PNG
(3-(2-Methyl-4-{2-[4-(3-o-tolyl-ureido)-phenyl]-ace...)
Show SMILES Cc1nc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)cn1CCC(O)=O
Show InChI InChI=1S/C23H25N5O4/c1-15-5-3-4-6-19(15)26-23(32)25-18-9-7-17(8-10-18)13-21(29)27-20-14-28(16(2)24-20)12-11-22(30)31/h3-10,14H,11-13H2,1-2H3,(H,27,29)(H,30,31)(H2,25,26,32)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115179
PNG
(3-(3-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetylamino}...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2cccc(CCC(O)=O)c2)cc1
Show InChI InChI=1S/C25H25N3O4/c1-17-5-2-3-8-22(17)28-25(32)27-20-12-9-19(10-13-20)16-23(29)26-21-7-4-6-18(15-21)11-14-24(30)31/h2-10,12-13,15H,11,14,16H2,1H3,(H,26,29)(H,30,31)(H2,27,28,32)
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n/an/a 1.14E+4n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115184
PNG
((2-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetylamino}-t...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2nc(CC(O)=O)cs2)cc1
Show InChI InChI=1S/C21H20N4O4S/c1-13-4-2-3-5-17(13)24-20(29)22-15-8-6-14(7-9-15)10-18(26)25-21-23-16(12-30-21)11-19(27)28/h2-9,12H,10-11H2,1H3,(H,27,28)(H2,22,24,29)(H,23,25,26)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115178
PNG
(3-(2-(1-Phenyl-vinyl)-3-{2-[4-(3-o-tolyl-ureido)-p...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)NC(SC(=C)c2ccccc2)=NCCC(O)=O)cc1 |w:29.31|
Show InChI InChI=1S/C28H28N4O4S/c1-19-8-6-7-11-24(19)31-27(36)30-23-14-12-21(13-15-23)18-25(33)32-28(29-17-16-26(34)35)37-20(2)22-9-4-3-5-10-22/h3-15H,2,16-18H2,1H3,(H,34,35)(H,29,32,33)(H2,30,31,36)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50023584
PNG
(CHEMBL3341839)
Show SMILES COc1ccc2ncc(=O)n(CC(N)C3(F)CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 |(19.03,-29.95,;20.37,-29.18,;21.7,-29.95,;21.7,-31.49,;23.03,-32.26,;24.37,-31.5,;25.71,-32.27,;27.06,-31.49,;27.05,-29.93,;28.38,-29.16,;25.7,-29.16,;25.69,-27.62,;27.02,-26.84,;28.36,-27.6,;27.01,-25.3,;28.33,-26.06,;28.34,-24.53,;28.34,-22.99,;27,-22.22,;25.67,-23,;25.67,-24.54,;27,-20.68,;28.33,-19.91,;29.67,-20.68,;29.66,-22.23,;30.99,-22.99,;32.32,-22.22,;33.66,-22.99,;35,-22.22,;35,-20.67,;36.33,-19.9,;33.65,-19.89,;32.32,-20.67,;30.99,-19.91,;24.36,-29.94,;23.03,-29.18,)|
Show InChI InChI=1/C25H29FN6O4/c1-35-17-3-4-18-19(10-17)32(23(34)12-29-18)13-21(27)25(26)8-6-15(7-9-25)28-11-16-2-5-20-24(30-16)31-22(33)14-36-20/h2-5,10,12,15,21,28H,6-9,11,13-14,27H2,1H3,(H,30,31,33)
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n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50395399
PNG
(CHEMBL2165063)
Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)
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n/an/a 3.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
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