BindingDB logo
myBDB logout

13 similar compounds to monomer 152368

Compile data set for download or QSAR
Wt: 376.3
BDBM152357
Wt: 368.4
BDBM152358
Wt: 382.3
BDBM152355
Wt: 400.3
BDBM152330
Wt: 360.3
BDBM152349
Wt: 382.3
BDBM152369
Wt: 386.4
BDBM152360
Wt: 472.2
BDBM152365
Wt: 346.3
BDBM50392462
Wt: 364.3
BDBM50392463
Wt: 425.2
BDBM50392464
Wt: 380.8
BDBM50392466
Wt: 346.3
BDBM50392455

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 152357,152358,152355,152330,152349,152369,152360,152365,50392462,50392463,50392464,50392466,50392455   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50392455
PNG
(CHEMBL2151925)
Show SMILES Cc1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F
Show InChI InChI=1S/C17H19FN4O3/c1-11-8-12(2-3-13(11)18)19-16(23)9-14-20-15(10-17(24)21-14)22-4-6-25-7-5-22/h2-3,8,10H,4-7,9H2,1H3,(H,19,23)(H,20,21,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 171n/an/an/an/an/a37



Sanofi

US Patent


Assay Description
This test is based on measuring the expression of the AKT protein phosphorylated on serine 473. The phosphorylation of AKT (pAKT) is measured by west...


US Patent US8993565 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9V9P
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50392466
PNG
(CHEMBL2151935)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18ClFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50392466
PNG
(CHEMBL2151935)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18ClFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 202n/an/an/an/an/a37



Sanofi

US Patent


Assay Description
This test is based on measuring the expression of the AKT protein phosphorylated on serine 473. The phosphorylation of AKT (pAKT) is measured by west...


US Patent US8993565 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9V9P
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50392466
PNG
(CHEMBL2151935)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18ClFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 79n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
This test is based on measuring the expression of the AKT protein phosphorylated on serine 473 (P-AKT-S473), in the PC3 human prostate carcinoma line...


US Patent US8993565 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9V9P
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM152349
PNG
(US8993565, 70)
Show SMILES CCn1c(CC(=O)Nc2ccc(F)cc2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C18H21FN4O3/c1-2-23-16(11-17(24)20-14-5-3-13(19)4-6-14)21-15(12-18(23)25)22-7-9-26-10-8-22/h3-6,12H,2,7-11H2,1H3,(H,20,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 195n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
This test is based on measuring the expression of the AKT protein phosphorylated on serine 473 (P-AKT-S473), in the PC3 human prostate carcinoma line...


US Patent US8993565 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9V9P
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM152355
PNG
(US8993565, 76)
Show SMILES FC(F)c1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F
Show InChI InChI=1S/C17H17F3N4O3/c18-12-2-1-10(7-11(12)17(19)20)21-15(25)8-13-22-14(9-16(26)23-13)24-3-5-27-6-4-24/h1-2,7,9,17H,3-6,8H2,(H,21,25)(H,22,23,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 77n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
This test is based on measuring the expression of the AKT protein phosphorylated on serine 473 (P-AKT-S473), in the PC3 human prostate carcinoma line...


US Patent US8993565 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9V9P
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50392463
PNG
(CHEMBL2151932)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(F)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18F2N4O3/c1-22-14(9-16(24)20-11-2-3-12(18)13(19)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 129n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
This test is based on measuring the expression of the AKT protein phosphorylated on serine 473 (P-AKT-S473), in the PC3 human prostate carcinoma line...


US Patent US8993565 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9V9P
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50392464
PNG
(CHEMBL2151933)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(Br)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18BrFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 94n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
This test is based on measuring the expression of the AKT protein phosphorylated on serine 473 (P-AKT-S473), in the PC3 human prostate carcinoma line...


US Patent US8993565 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9V9P
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM152357
PNG
(US8993565, 81)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(CO)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C18H21FN4O4/c1-22-15(21-16(10-18(22)26)23-4-6-27-7-5-23)9-17(25)20-13-2-3-14(19)12(8-13)11-24/h2-3,8,10,24H,4-7,9,11H2,1H3,(H,20,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.94E+3n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
This test is based on measuring the expression of the AKT protein phosphorylated on serine 473 (P-AKT-S473), in the PC3 human prostate carcinoma line...


US Patent US8993565 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9V9P
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM152358
PNG
(US8993565, 82)
Show SMILES Cn1c(CC(=O)Nc2cccc(c2)C2CC2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C20H24N4O3/c1-23-17(22-18(13-20(23)26)24-7-9-27-10-8-24)12-19(25)21-16-4-2-3-15(11-16)14-5-6-14/h2-4,11,13-14H,5-10,12H2,1H3,(H,21,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 133n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
This test is based on measuring the expression of the AKT protein phosphorylated on serine 473 (P-AKT-S473), in the PC3 human prostate carcinoma line...


US Patent US8993565 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9V9P
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM152360
PNG
(US8993565, 86)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(c2)C2CC2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C20H23FN4O3/c1-24-17(23-18(12-20(24)27)25-6-8-28-9-7-25)11-19(26)22-14-4-5-16(21)15(10-14)13-2-3-13/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,22,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 26n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
This test is based on measuring the expression of the AKT protein phosphorylated on serine 473 (P-AKT-S473), in the PC3 human prostate carcinoma line...


US Patent US8993565 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9V9P
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM152365
PNG
(US8993565, 93)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(I)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18FIN4O3/c1-22-14(9-16(24)20-11-2-3-12(18)13(19)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 63n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
This test is based on measuring the expression of the AKT protein phosphorylated on serine 473 (P-AKT-S473), in the PC3 human prostate carcinoma line...


US Patent US8993565 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9V9P
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM152369
PNG
(US8993565, 98)
Show SMILES Cn1c(CC(=O)Nc2cc(F)c(F)c(F)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H17F3N4O3/c1-23-13(22-14(9-16(23)26)24-2-4-27-5-3-24)8-15(25)21-10-6-11(18)17(20)12(19)7-10/h6-7,9H,2-5,8H2,1H3,(H,21,25)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 219n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
This test is based on measuring the expression of the AKT protein phosphorylated on serine 473 (P-AKT-S473), in the PC3 human prostate carcinoma line...


US Patent US8993565 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9V9P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50392455
PNG
(CHEMBL2151925)
Show SMILES Cc1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F
Show InChI InChI=1S/C17H19FN4O3/c1-11-8-12(2-3-13(11)18)19-16(23)9-14-20-15(10-17(24)21-14)22-4-6-25-7-5-22/h2-3,8,10H,4-7,9H2,1H3,(H,19,23)(H,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 831n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50392462
PNG
(CHEMBL2151931)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)cc2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H19FN4O3/c1-21-14(10-16(23)19-13-4-2-12(18)3-5-13)20-15(11-17(21)24)22-6-8-25-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50392463
PNG
(CHEMBL2151932)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(F)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18F2N4O3/c1-22-14(9-16(24)20-11-2-3-12(18)13(19)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.51E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50392464
PNG
(CHEMBL2151933)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(Br)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18BrFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.61E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50392466
PNG
(CHEMBL2151935)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18ClFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50392455
PNG
(CHEMBL2151925)
Show SMILES Cc1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F
Show InChI InChI=1S/C17H19FN4O3/c1-11-8-12(2-3-13(11)18)19-16(23)9-14-20-15(10-17(24)21-14)22-4-6-25-7-5-22/h2-3,8,10H,4-7,9H2,1H3,(H,19,23)(H,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50392462
PNG
(CHEMBL2151931)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)cc2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H19FN4O3/c1-21-14(10-16(23)19-13-4-2-12(18)3-5-13)20-15(11-17(21)24)22-6-8-25-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 244n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50392463
PNG
(CHEMBL2151932)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(F)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18F2N4O3/c1-22-14(9-16(24)20-11-2-3-12(18)13(19)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 262n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50392464
PNG
(CHEMBL2151933)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(Br)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18BrFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 387n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50392466
PNG
(CHEMBL2151935)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18ClFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50392455
PNG
(CHEMBL2151925)
Show SMILES Cc1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F
Show InChI InChI=1S/C17H19FN4O3/c1-11-8-12(2-3-13(11)18)19-16(23)9-14-20-15(10-17(24)21-14)22-4-6-25-7-5-22/h2-3,8,10H,4-7,9H2,1H3,(H,19,23)(H,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50392462
PNG
(CHEMBL2151931)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)cc2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H19FN4O3/c1-21-14(10-16(23)19-13-4-2-12(18)3-5-13)20-15(11-17(21)24)22-6-8-25-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.47E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50392463
PNG
(CHEMBL2151932)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(F)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18F2N4O3/c1-22-14(9-16(24)20-11-2-3-12(18)13(19)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.77E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50392464
PNG
(CHEMBL2151933)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(Br)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18BrFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.22E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50392466
PNG
(CHEMBL2151935)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18ClFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.21E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50392455
PNG
(CHEMBL2151925)
Show SMILES Cc1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F
Show InChI InChI=1S/C17H19FN4O3/c1-11-8-12(2-3-13(11)18)19-16(23)9-14-20-15(10-17(24)21-14)22-4-6-25-7-5-22/h2-3,8,10H,4-7,9H2,1H3,(H,19,23)(H,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.01E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50392462
PNG
(CHEMBL2151931)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)cc2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H19FN4O3/c1-21-14(10-16(23)19-13-4-2-12(18)3-5-13)20-15(11-17(21)24)22-6-8-25-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50392463
PNG
(CHEMBL2151932)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(F)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18F2N4O3/c1-22-14(9-16(24)20-11-2-3-12(18)13(19)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50392464
PNG
(CHEMBL2151933)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(Br)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18BrFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50392466
PNG
(CHEMBL2151935)
Show SMILES Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(cc1=O)N1CCOCC1
Show InChI InChI=1S/C17H18ClFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.28E+3n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50392455
PNG
(CHEMBL2151925)
Show SMILES Cc1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F
Show InChI InChI=1S/C17H19FN4O3/c1-11-8-12(2-3-13(11)18)19-16(23)9-14-20-15(10-17(24)21-14)22-4-6-25-7-5-22/h2-3,8,10H,4-7,9H2,1H3,(H,19,23)(H,20,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4


Bioorg Med Chem Lett 22: 6381-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.072
BindingDB Entry DOI: 10.7270/Q2FN179H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM152330
PNG
(US8993565, 47)
Show SMILES Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1C(F)(F)F
Show InChI InChI=1S/C17H16F4N4O3/c18-12-2-1-10(7-11(12)17(19,20)21)22-15(26)8-13-23-14(9-16(27)24-13)25-3-5-28-6-4-25/h1-2,7,9H,3-6,8H2,(H,22,26)(H,23,24,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 346n/an/an/an/an/a37



Sanofi

US Patent


Assay Description
This test is based on measuring the expression of the AKT protein phosphorylated on serine 473. The phosphorylation of AKT (pAKT) is measured by west...


US Patent US8993565 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9V9P
More data for this
Ligand-Target Pair