BindingDB logo
myBDB logout

8 similar compounds to monomer 125442

Compile data set for download or QSAR
Wt: 431.4
BDBM125272
Wt: 509.5
BDBM125273
Wt: 538.6
BDBM125276
Wt: 523.6
BDBM125321
Wt: 516.5
BDBM125450
Wt: 530.6
BDBM125451
Wt: 555.6
BDBM125440
Wt: 555.6
BDBM125441

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 125272,125273,125276,125321,125450,125451,125440,125441   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM125451
PNG
(US8772480, 306)
Show SMILES COc1ncc(Nc2ncc(cc2-c2cc(N)nc(C)n2)[C@@H](C)N2CCN(C[C@@H]2C)S(C)(=O)=O)cc1F
Show InChI InChI=1/C24H31FN8O3S/c1-14-13-32(37(5,34)35)6-7-33(14)15(2)17-8-19(21-10-22(26)30-16(3)29-21)23(27-11-17)31-18-9-20(25)24(36-4)28-12-18/h8-12,14-15H,6-7,13H2,1-5H3,(H,27,31)(H2,26,29,30)/t14-,15+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
1n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM125450
PNG
(US8772480, 305)
Show SMILES COc1ncc(Nc2ncc(cc2-c2cc(N)nc(C)n2)[C@@H](C)N2CCN(CC2)S(C)(=O)=O)cc1F
Show InChI InChI=1/C23H29FN8O3S/c1-14(31-5-7-32(8-6-31)36(4,33)34)16-9-18(20-11-21(25)29-15(2)28-20)22(26-12-16)30-17-10-19(24)23(35-3)27-13-17/h9-14H,5-8H2,1-4H3,(H,26,30)(H2,25,28,29)/t14-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
2n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM125440
PNG
(US8772480, 295)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc3[nH]cnc23)[C@@H](C)N2CCN(C[C@@H]2C)S(C)(=O)=O)cc1F
Show InChI InChI=1/C25H30FN9O3S/c1-14-12-34(39(5,36)37)6-7-35(14)15(2)17-8-19(21-22-24(30-13-29-22)32-16(3)31-21)23(27-10-17)33-18-9-20(26)25(38-4)28-11-18/h8-11,13-15H,6-7,12H2,1-5H3,(H,27,33)(H,29,30,31,32)/t14-,15+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
3n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM125321
PNG
(US8772480, 140)
Show SMILES COc1ccc(Nc2ncc(cc2-c2nc(C)nc3[nH]cnc23)C(C)N2CCN(CC2)S(C)(=O)=O)cn1
Show InChI InChI=1/C24H29N9O3S/c1-15(32-7-9-33(10-8-32)37(4,34)35)17-11-19(21-22-24(28-14-27-22)30-16(2)29-21)23(26-12-17)31-18-5-6-20(36-3)25-13-18/h5-6,11-15H,7-10H2,1-4H3,(H,26,31)(H,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
6n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM125276
PNG
(US8772480, 88)
Show SMILES COc1ccc(Nc2ncc(CN3CCN(CC3)S(=O)(=O)N(C)C)cc2-c2nc(C)nc3[nH]cnc23)cn1
Show InChI InChI=1S/C24H30N10O3S/c1-16-29-21(22-24(30-16)28-15-27-22)19-11-17(12-26-23(19)31-18-5-6-20(37-4)25-13-18)14-33-7-9-34(10-8-33)38(35,36)32(2)3/h5-6,11-13,15H,7-10,14H2,1-4H3,(H,26,31)(H,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
7n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM125441
PNG
(US8772480, 296)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc3[nH]cnc23)[C@H](C)N2CCN(C[C@@H]2C)S(C)(=O)=O)cc1F
Show InChI InChI=1/C25H30FN9O3S/c1-14-12-34(39(5,36)37)6-7-35(14)15(2)17-8-19(21-22-24(30-13-29-22)32-16(3)31-21)23(27-10-17)33-18-9-20(26)25(38-4)28-11-18/h8-11,13-15H,6-7,12H2,1-5H3,(H,27,33)(H,29,30,31,32)/t14-,15-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
18n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM125273
PNG
(US8772480, 85)
Show SMILES COc1ccc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc3[nH]cnc23)cn1
Show InChI InChI=1S/C23H27N9O3S/c1-15-28-20(21-23(29-15)27-14-26-21)18-10-16(13-31-6-8-32(9-7-31)36(3,33)34)11-25-22(18)30-17-4-5-19(35-2)24-12-17/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,25,30)(H,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
19n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM125272
PNG
(US8772480, 84)
Show SMILES COc1ccc(Nc2ncc(CN3CCNCC3)cc2-c2nc(C)nc3[nH]cnc23)cn1
Show InChI InChI=1S/C22H25N9O/c1-14-28-19(20-22(29-14)27-13-26-20)17-9-15(12-31-7-5-23-6-8-31)10-25-21(17)30-16-3-4-18(32-2)24-11-16/h3-4,9-11,13,23H,5-8,12H2,1-2H3,(H,25,30)(H,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
97n/an/an/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM125440
PNG
(US8772480, 295)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc3[nH]cnc23)[C@@H](C)N2CCN(C[C@@H]2C)S(C)(=O)=O)cc1F
Show InChI InChI=1/C25H30FN9O3S/c1-14-12-34(39(5,36)37)6-7-35(14)15(2)17-8-19(21-22-24(30-13-29-22)32-16(3)31-21)23(27-10-17)33-18-9-20(26)25(38-4)28-11-18/h8-11,13-15H,6-7,12H2,1-5H3,(H,27,33)(H,29,30,31,32)/t14-,15+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM125441
PNG
(US8772480, 296)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc3[nH]cnc23)[C@H](C)N2CCN(C[C@@H]2C)S(C)(=O)=O)cc1F
Show InChI InChI=1/C25H30FN9O3S/c1-14-12-34(39(5,36)37)6-7-35(14)15(2)17-8-19(21-22-24(30-13-29-22)32-16(3)31-21)23(27-10-17)33-18-9-20(26)25(38-4)28-11-18/h8-11,13-15H,6-7,12H2,1-5H3,(H,27,33)(H,29,30,31,32)/t14-,15-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM125273
PNG
(US8772480, 85)
Show SMILES COc1ccc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc3[nH]cnc23)cn1
Show InChI InChI=1S/C23H27N9O3S/c1-15-28-20(21-23(29-15)27-14-26-21)18-10-16(13-31-6-8-32(9-7-31)36(3,33)34)11-25-22(18)30-17-4-5-19(35-2)24-12-17/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,25,30)(H,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM125451
PNG
(US8772480, 306)
Show SMILES COc1ncc(Nc2ncc(cc2-c2cc(N)nc(C)n2)[C@@H](C)N2CCN(C[C@@H]2C)S(C)(=O)=O)cc1F
Show InChI InChI=1/C24H31FN8O3S/c1-14-13-32(37(5,34)35)6-7-33(14)15(2)17-8-19(21-10-22(26)30-16(3)29-21)23(27-11-17)31-18-9-20(25)24(36-4)28-12-18/h8-12,14-15H,6-7,13H2,1-5H3,(H,27,31)(H2,26,29,30)/t14-,15+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM125272
PNG
(US8772480, 84)
Show SMILES COc1ccc(Nc2ncc(CN3CCNCC3)cc2-c2nc(C)nc3[nH]cnc23)cn1
Show InChI InChI=1S/C22H25N9O/c1-14-28-19(20-22(29-14)27-13-26-20)17-9-15(12-31-7-5-23-6-8-31)10-25-21(17)30-16-3-4-18(32-2)24-11-16/h3-4,9-11,13,23H,5-8,12H2,1-2H3,(H,25,30)(H,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM125321
PNG
(US8772480, 140)
Show SMILES COc1ccc(Nc2ncc(cc2-c2nc(C)nc3[nH]cnc23)C(C)N2CCN(CC2)S(C)(=O)=O)cn1
Show InChI InChI=1/C24H29N9O3S/c1-15(32-7-9-33(10-8-32)37(4,34)35)17-11-19(21-22-24(28-14-27-22)30-16(2)29-21)23(26-12-17)31-18-5-6-20(36-3)25-13-18/h5-6,11-15H,7-10H2,1-4H3,(H,26,31)(H,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 476n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM125276
PNG
(US8772480, 88)
Show SMILES COc1ccc(Nc2ncc(CN3CCN(CC3)S(=O)(=O)N(C)C)cc2-c2nc(C)nc3[nH]cnc23)cn1
Show InChI InChI=1S/C24H30N10O3S/c1-16-29-21(22-24(30-16)28-15-27-22)19-11-17(12-26-23(19)31-18-5-6-20(37-4)25-13-18)14-33-7-9-34(10-8-33)38(35,36)32(2)3/h5-6,11-13,15H,7-10,14H2,1-4H3,(H,26,31)(H,27,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM125450
PNG
(US8772480, 305)
Show SMILES COc1ncc(Nc2ncc(cc2-c2cc(N)nc(C)n2)[C@@H](C)N2CCN(CC2)S(C)(=O)=O)cc1F
Show InChI InChI=1/C23H29FN8O3S/c1-14(31-5-7-32(8-6-31)36(4,33)34)16-9-18(20-11-21(25)29-15(2)28-20)22(26-12-16)30-17-10-19(24)23(35-3)27-13-17/h9-14H,5-8H2,1-4H3,(H,26,30)(H2,25,28,29)/t14-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vit...


US Patent US8772480 (2014)


BindingDB Entry DOI: 10.7270/Q2V123FJ
More data for this
Ligand-Target Pair