BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3025 hits with Last Name = 'whittington' and Initial = 'da'   
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))
BDBM50403096
PNG
(CHEMBL2216895)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccc1
Show InChI InChI=1S/C20H16FN7/c1-12(26-19-15(10-22)18(23)24-11-25-19)20-27-16-8-7-13(21)9-17(16)28(20)14-5-3-2-4-6-14/h2-9,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50401261
PNG
(CHEMBL2206921 | US8772480, 384)
Show SMILES CN(C)S(=O)(=O)Nc1cc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cnc1Cl
Show InChI InChI=1S/C16H17Cl2N9O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26-30(28,29)27(2)3/h4-7,26H,1-3H3,(H,21,24)(H2,19,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ...


Bioorg Med Chem Lett 22: 5714-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.078
BindingDB Entry DOI: 10.7270/Q2MG7QNW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50383200
PNG
(CHEMBL2032026)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CCO)n(-c5ccccc5)c4=O)nc3)ccnc2c1
Show InChI InChI=1S/C28H25N5O5/c1-18-26(28(36)33(32(18)14-15-34)19-6-4-3-5-7-19)27(35)31-25-11-9-21(17-30-25)38-24-12-13-29-23-16-20(37-2)8-10-22(23)24/h3-13,16-17,34H,14-15H2,1-2H3,(H,30,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50403075
PNG
(CHEMBL2216902)
Show SMILES CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1
Show InChI InChI=1S/C28H36N8O4S/c1-18(2)24-29-21-6-4-5-7-22(21)36(24)27-31-25-23(26(32-27)34-10-12-39-13-11-34)30-28(33(25)3)40-20-16-35(17-20)19-8-14-41(37,38)15-9-19/h4-7,18-20H,8-17H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.460n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50403074
PNG
(CHEMBL2216903)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C3)C(=O)C(C)C)n(C)c2n1
Show InChI InChI=1S/C26H32N8O3/c1-5-20-27-18-8-6-7-9-19(18)34(20)25-29-22-21(23(30-25)32-10-12-36-13-11-32)28-26(31(22)4)37-17-14-33(15-17)24(35)16(2)3/h6-9,16-17H,5,10-15H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.576n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50119621
PNG
(CHEMBL3618245)
Show SMILES COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F
Show InChI InChI=1S/C20H21FN8O2/c1-10-24-16(28-19(22)25-10)15-17(26-12-7-13(21)18(31-4)23-8-12)27-14-6-5-11(9-29(14)15)20(2,3)30/h5-9,26,30H,1-4H3,(H2,22,24,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 25: 4136-42 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.016
BindingDB Entry DOI: 10.7270/Q2R49SKC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357645
PNG
(CHEMBL1738719)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(N3CCOCC3)c2c1
Show InChI InChI=1S/C24H20ClFN4O3S/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357674
PNG
(CHEMBL1914739)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C24H19ClF3N5O2S/c25-23-21(32-36(34,35)18-4-2-17(26)3-5-18)12-16(13-30-23)15-1-6-19-20(11-15)31-22(14-29-19)33-9-7-24(27,28)8-10-33/h1-6,11-14,32H,7-10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50383168
PNG
(CHEMBL2032015)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5ccccn5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
Show InChI InChI=1S/C31H24N6O4/c1-36-29(24-10-6-7-16-32-24)28(31(39)37(36)20-8-4-3-5-9-20)30(38)35-27-14-12-22(19-34-27)41-26-15-17-33-25-18-21(40-2)11-13-23(25)26/h3-19H,1-2H3,(H,34,35,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50383169
PNG
(CHEMBL2032014)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5ccncc5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
Show InChI InChI=1S/C31H24N6O4/c1-36-29(20-12-15-32-16-13-20)28(31(39)37(36)21-6-4-3-5-7-21)30(38)35-27-11-9-23(19-34-27)41-26-14-17-33-25-18-22(40-2)8-10-24(25)26/h3-19H,1-2H3,(H,34,35,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50401261
PNG
(CHEMBL2206921 | US8772480, 384)
Show SMILES CN(C)S(=O)(=O)Nc1cc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cnc1Cl
Show InChI InChI=1S/C16H17Cl2N9O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26-30(28,29)27(2)3/h4-7,26H,1-3H3,(H,21,24)(H2,19,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110beta expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate a...


Bioorg Med Chem Lett 22: 5714-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.078
BindingDB Entry DOI: 10.7270/Q2MG7QNW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50383172
PNG
(CHEMBL2031912)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCOC5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
Show InChI InChI=1S/C31H27FN4O5/c1-35-29(19-13-15-40-18-19)28(31(38)36(35)21-6-4-3-5-7-21)30(37)34-20-8-11-27(24(32)16-20)41-26-12-14-33-25-17-22(39-2)9-10-23(25)26/h3-12,14,16-17,19H,13,15,18H2,1-2H3,(H,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50383206
PNG
(CHEMBL2032019)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5csc(C)n5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
Show InChI InChI=1S/C30H24N6O4S/c1-18-33-24(17-41-18)28-27(30(38)36(35(28)2)19-7-5-4-6-8-19)29(37)34-26-12-10-21(16-32-26)40-25-13-14-31-23-15-20(39-3)9-11-22(23)25/h4-17H,1-3H3,(H,32,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50383194
PNG
(CHEMBL2032018)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cc(C)on5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
Show InChI InChI=1S/C30H24N6O5/c1-18-15-24(34-41-18)28-27(30(38)36(35(28)2)19-7-5-4-6-8-19)29(37)33-26-12-10-21(17-32-26)40-25-13-14-31-23-16-20(39-3)9-11-22(23)25/h4-17H,1-3H3,(H,32,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357652
PNG
(CHEMBL1914726)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(-c3cccnc3)c2c1
Show InChI InChI=1S/C25H16ClFN4O2S/c26-25-24(31-34(32,33)20-6-4-19(27)5-7-20)13-18(15-30-25)16-3-8-23-22(12-16)21(9-11-29-23)17-2-1-10-28-14-17/h1-15,31H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357665
PNG
(CHEMBL1914728)
Show SMILES CN(C)c1ccc(cc1)-c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C28H22ClFN4O2S/c1-34(2)22-8-3-18(4-9-22)24-13-14-31-26-12-5-19(15-25(24)26)20-16-27(28(29)32-17-20)33-37(35,36)23-10-6-21(30)7-11-23/h3-17,33H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357670
PNG
(CHEMBL1914734)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(NCCc3ccccc3)nc2c1
Show InChI InChI=1S/C27H21ClFN5O2S/c28-27-25(34-37(35,36)22-9-7-21(29)8-10-22)15-20(16-32-27)19-6-11-23-24(14-19)33-26(17-31-23)30-13-12-18-4-2-1-3-5-18/h1-11,14-17,34H,12-13H2,(H,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357668
PNG
(CHEMBL1914731)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(NCC3CCCCC3)nc2c1
Show InChI InChI=1S/C26H25ClFN5O2S/c27-26-24(33-36(34,35)21-9-7-20(28)8-10-21)13-19(15-31-26)18-6-11-22-23(12-18)32-25(16-29-22)30-14-17-4-2-1-3-5-17/h6-13,15-17,33H,1-5,14H2,(H,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357650
PNG
(CHEMBL1914742)
Show SMILES CC(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26ClFN6O2S/c1-17(2)33-9-11-34(12-10-33)25-16-29-22-8-3-18(13-23(22)31-25)19-14-24(26(27)30-15-19)32-37(35,36)21-6-4-20(28)5-7-21/h3-8,13-17,32H,9-12H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50383208
PNG
(CHEMBL2032016)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cccnc5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
Show InChI InChI=1S/C31H24N6O4/c1-36-29(20-7-6-15-32-18-20)28(31(39)37(36)21-8-4-3-5-9-21)30(38)35-27-13-11-23(19-34-27)41-26-14-16-33-25-17-22(40-2)10-12-24(25)26/h3-19H,1-2H3,(H,34,35,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357653
PNG
(CHEMBL1914727)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H16ClFN4O2S/c26-25-24(31-34(32,33)20-4-2-19(27)3-5-20)14-18(15-30-25)17-1-6-23-22(13-17)21(9-12-29-23)16-7-10-28-11-8-16/h1-15,31H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50383198
PNG
(CHEMBL2032029)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1
Show InChI InChI=1S/C29H27N5O5/c1-18(35)17-33-19(2)27(29(37)34(33)20-7-5-4-6-8-20)28(36)32-26-12-10-22(16-31-26)39-25-13-14-30-24-15-21(38-3)9-11-23(24)25/h4-16,18,35H,17H2,1-3H3,(H,31,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50383195
PNG
(CHEMBL2032031)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(O)CN)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
Show InChI InChI=1S/C30H28FN5O5/c1-18-28(30(39)36(20-6-4-3-5-7-20)35(18)17-21(37)16-32)29(38)34-19-8-11-27(24(31)14-19)41-26-12-13-33-25-15-22(40-2)9-10-23(25)26/h3-15,21,37H,16-17,32H2,1-2H3,(H,34,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357662
PNG
(CHEMBL1914721)
Show SMILES OC1CCN(CC1)c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H22ClFN4O3S/c26-25-23(30-35(33,34)20-4-2-18(27)3-5-20)14-17(15-29-25)16-1-6-22-21(13-16)24(7-10-28-22)31-11-8-19(32)9-12-31/h1-7,10,13-15,19,30,32H,8-9,11-12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50383202
PNG
(CHEMBL2032023)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)=C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
Show InChI InChI=1S/C31H27FN4O4/c1-19(2)18-35-20(3)29(31(38)36(35)22-8-6-5-7-9-22)30(37)34-21-10-13-28(25(32)16-21)40-27-14-15-33-26-17-23(39-4)11-12-24(26)27/h5-17H,1,18H2,2-4H3,(H,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357673
PNG
(CHEMBL1914738)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)N1CCCCC1
Show InChI InChI=1S/C24H21ClFN5O2S/c25-24-22(30-34(32,33)19-7-5-18(26)6-8-19)13-17(14-28-24)16-4-9-20-21(12-16)29-23(15-27-20)31-10-2-1-3-11-31/h4-9,12-15,30H,1-3,10-11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357651
PNG
(CHEMBL1914724)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(N3CCN(Cc4ccncc4)CC3)c2c1
Show InChI InChI=1S/C30H26ClFN6O2S/c31-30-28(36-41(39,40)25-4-2-24(32)3-5-25)18-23(19-35-30)22-1-6-27-26(17-22)29(9-12-34-27)38-15-13-37(14-16-38)20-21-7-10-33-11-8-21/h1-12,17-19,36H,13-16,20H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50383197
PNG
(CHEMBL2029375)
Show SMILES CC[C@H](O)Cn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C31H29FN4O5/c1-4-22(37)18-35-19(2)29(31(39)36(35)21-8-6-5-7-9-21)30(38)34-20-10-13-28(25(32)16-20)41-27-14-15-33-26-17-23(40-3)11-12-24(26)27/h5-17,22,37H,4,18H2,1-3H3,(H,34,38)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357666
PNG
(CHEMBL1914729)
Show SMILES COCCNc1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-32-9-8-25-21-13-26-18-7-2-14(10-19(18)28-21)15-11-20(22(23)27-12-15)29-33(30,31)17-5-3-16(24)4-6-17/h2-7,10-13,29H,8-9H2,1H3,(H,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50383173
PNG
(CHEMBL2031911)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCCO5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
Show InChI InChI=1S/C31H27FN4O5/c1-35-29(27-9-6-16-40-27)28(31(38)36(35)20-7-4-3-5-8-20)30(37)34-19-10-13-26(23(32)17-19)41-25-14-15-33-24-18-21(39-2)11-12-22(24)25/h3-5,7-8,10-15,17-18,27H,6,9,16H2,1-2H3,(H,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50383191
PNG
(CHEMBL2031893)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC
Show InChI InChI=1S/C29H25FN4O5/c1-17-27(29(36)34(33(17)2)19-8-6-5-7-9-19)28(35)32-18-10-11-24(21(30)14-18)39-23-12-13-31-22-16-26(38-4)25(37-3)15-20(22)23/h5-16H,1-4H3,(H,32,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of RON by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343206
PNG
(CHEMBL1773728 | N-(6-(6-Chloro-5-(3-(trifluorometh...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-16-6-5-12(8-18(16)33-20)13-7-17(19(22)26-10-13)29-34(31,32)15-4-2-3-14(9-15)21(23,24)25/h2-10,29H,1H3,(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50396808
PNG
(CHEMBL2170081 | US8772480, 148)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(CC2)S(C)(=O)=O)cc1F
Show InChI InChI=1S/C22H28FN9O3S/c1-13(31-5-7-32(8-6-31)36(4,33)34)15-9-17(20-27-14(2)28-22(24)30-20)19(25-11-15)29-16-10-18(23)21(35-3)26-12-16/h9-13H,5-8H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110gamma expressed in baculovirus infected Hi5 cells using ATP as substrate after 20 mins by spec...


J Med Chem 55: 7796-816 (2012)


Article DOI: 10.1021/jm300846z
BindingDB Entry DOI: 10.7270/Q2028SPT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24466
PNG
(1-(2-hydroxy-2-methylpropyl)-N-{5-[(7-methoxyquino...)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1
Show InChI InChI=1S/C30H29N5O5/c1-19-27(29(37)35(20-8-6-5-7-9-20)34(19)18-30(2,3)38)28(36)33-26-13-11-22(17-32-26)40-25-14-15-31-24-16-21(39-4)10-12-23(24)25/h5-17,38H,18H2,1-4H3,(H,32,33,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50383191
PNG
(CHEMBL2031893)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC
Show InChI InChI=1S/C29H25FN4O5/c1-17-27(29(36)34(33(17)2)19-8-6-5-7-9-19)28(35)32-18-10-11-24(21(30)14-18)39-23-12-13-31-22-16-26(38-4)25(37-3)15-20(22)23/h5-16H,1-4H3,(H,32,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of RON by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50394838
PNG
(CHEMBL2165007 | US8772480, 141)
Show SMILES COc1ccc(Nc2ncc(Cc3ccc(cc3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C23H23N7O3S/c1-14-27-22(30-23(24)28-14)19-11-16(10-15-4-7-18(8-5-15)34(3,31)32)12-26-21(19)29-17-6-9-20(33-2)25-13-17/h4-9,11-13H,10H2,1-3H3,(H,26,29)(H2,24,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kdelta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa...


J Med Chem 55: 5188-219 (2012)


Article DOI: 10.1021/jm300184s
BindingDB Entry DOI: 10.7270/Q23F4QSJ
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396809
PNG
(CHEMBL2170099 | US8772480, 147)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@H](C)N2CCN(CC2)S(C)(=O)=O)cc1F
Show InChI InChI=1S/C22H28FN9O3S/c1-13(31-5-7-32(8-6-31)36(4,33)34)15-9-17(20-27-14(2)28-22(24)30-20)19(25-11-15)29-16-10-18(23)21(35-3)26-12-16/h9-13H,5-8H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)


Article DOI: 10.1021/jm300846z
BindingDB Entry DOI: 10.7270/Q2028SPT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50401261
PNG
(CHEMBL2206921 | US8772480, 384)
Show SMILES CN(C)S(=O)(=O)Nc1cc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cnc1Cl
Show InChI InChI=1S/C16H17Cl2N9O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26-30(28,29)27(2)3/h4-7,26H,1-3H3,(H,21,24)(H2,19,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110gamma expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate ...


Bioorg Med Chem Lett 22: 5714-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.078
BindingDB Entry DOI: 10.7270/Q2MG7QNW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343205
PNG
(CHEMBL1773606 | N-(6-(6-Chloro-5-(2-(trifluorometh...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-15-7-6-12(9-17(15)33-20)13-8-16(19(22)26-10-13)29-34(31,32)18-5-3-2-4-14(18)21(23,24)25/h2-10,29H,1H3,(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357664
PNG
(CHEMBL1914723)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(N3CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C31H27ClFN5O2S/c32-31-29(36-41(39,40)26-9-7-25(33)8-10-26)19-24(20-35-31)23-6-11-28-27(18-23)30(12-13-34-28)38-16-14-37(15-17-38)21-22-4-2-1-3-5-22/h1-13,18-20,36H,14-17,21H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24466
PNG
(1-(2-hydroxy-2-methylpropyl)-N-{5-[(7-methoxyquino...)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1
Show InChI InChI=1S/C30H29N5O5/c1-19-27(29(37)35(20-8-6-5-7-9-20)34(19)18-30(2,3)38)28(36)33-26-13-11-22(17-32-26)40-25-14-15-31-24-16-21(39-4)10-12-23(24)25/h5-17,38H,18H2,1-4H3,(H,32,33,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24462
PNG
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
Show InChI InChI=1S/C30H27FN4O5/c1-18(36)17-34-19(2)28(30(38)35(34)21-7-5-4-6-8-21)29(37)33-20-9-12-27(24(31)15-20)40-26-13-14-32-25-16-22(39-3)10-11-23(25)26/h4-16,18,36H,17H2,1-3H3,(H,33,37)/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24460
PNG
(N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}...)
Show SMILES CCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H27FN4O4/c1-4-16-34-19(2)28(30(37)35(34)21-8-6-5-7-9-21)29(36)33-20-10-13-27(24(31)17-20)39-26-14-15-32-25-18-22(38-3)11-12-23(25)26/h5-15,17-18H,4,16H2,1-3H3,(H,33,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357644
PNG
(CHEMBL1914947)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C24H15ClFN5O2S/c25-24-22(31-34(32,33)19-4-2-18(26)3-5-19)12-17(13-29-24)16-1-6-20-21(11-16)30-23(14-28-20)15-7-9-27-10-8-15/h1-14,31H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357675
PNG
(CHEMBL1914740)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)N1C[C@H]2CC[C@H](CC2)C1
Show InChI InChI=1S/C27H25ClFN5O2S/c28-27-25(33-37(35,36)22-8-6-21(29)7-9-22)12-20(13-31-27)19-5-10-23-24(11-19)32-26(14-30-23)34-15-17-1-2-18(16-34)4-3-17/h5-14,17-18,33H,1-4,15-16H2/t17-,18+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50396820
PNG
(CHEMBL2170088 | US8772480, 272)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(C[C@@H]2C)S(C)(=O)=O)cc1F
Show InChI InChI=1S/C23H30FN9O3S/c1-13-12-32(37(5,34)35)6-7-33(13)14(2)16-8-18(21-28-15(3)29-23(25)31-21)20(26-10-16)30-17-9-19(24)22(36-4)27-11-17/h8-11,13-14H,6-7,12H2,1-5H3,(H,26,30)(H2,25,28,29,31)/t13-,14+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110alpha/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)


Article DOI: 10.1021/jm300846z
BindingDB Entry DOI: 10.7270/Q2028SPT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343207
PNG
(CHEMBL1773729 | N-(6-(6-Chloro-5-(4-(trifluorometh...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-16-7-2-12(9-18(16)33-20)13-8-17(19(22)26-10-13)29-34(31,32)15-5-3-14(4-6-15)21(23,24)25/h2-10,29H,1H3,(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343208
PNG
(CHEMBL1773730 | N-(6-(6-Chloro-5-(2-chlorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-15-7-6-12(9-17(15)30-20)13-8-16(19(22)23-10-13)26-31(28,29)18-5-3-2-4-14(18)21/h2-10,26H,1H3,(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343209
PNG
(CHEMBL1773731 | N-(6-(6-Chloro-5-(3-chlorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-16-6-5-12(8-18(16)30-20)13-7-17(19(22)23-10-13)26-31(28,29)15-4-2-3-14(21)9-15/h2-10,26H,1H3,(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343212
PNG
(CHEMBL1773734 | N-(6-(6-Chloro-5-(4-tert-butylphen...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C24H23ClN4O3S2/c1-14(30)27-23-28-19-10-5-15(12-21(19)33-23)16-11-20(22(25)26-13-16)29-34(31,32)18-8-6-17(7-9-18)24(2,3)4/h5-13,29H,1-4H3,(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 3025 total )  |  Next  |  Last  >>
Jump to: