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SMILES: C[C@H](Nc1ncnc(N)c1C(=O)Nc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=KEWDMJSHPHKUCI-INIZCTEOSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 236935   
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 delta isoform


(Homo sapiens (Human))
BDBM236935
PNG
(US9388189, 36)
Show SMILES C[C@H](Nc1ncnc(N)c1C(=O)Nc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H24N8O3/c1-15-11-12-33-21(15)26(37)34(18-8-4-3-5-9-18)24(32-33)16(2)30-23-20(22(27)28-14-29-23)25(36)31-17-7-6-10-19(35)13-17/h3-14,16,35H,1-2H3,(H,31,36)(H3,27,28,29,30)/t16-/m0/s1
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US Patent
n/an/a 3n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM236935
PNG
(US9388189, 36)
Show SMILES C[C@H](Nc1ncnc(N)c1C(=O)Nc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H24N8O3/c1-15-11-12-33-21(15)26(37)34(18-8-4-3-5-9-18)24(32-33)16(2)30-23-20(22(27)28-14-29-23)25(36)31-17-7-6-10-19(35)13-17/h3-14,16,35H,1-2H3,(H,31,36)(H3,27,28,29,30)/t16-/m0/s1
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Article
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110alpha/recombinant human full length p85alpha using PIP2 as substrate preincuba...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM236935
PNG
(US9388189, 36)
Show SMILES C[C@H](Nc1ncnc(N)c1C(=O)Nc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H24N8O3/c1-15-11-12-33-21(15)26(37)34(18-8-4-3-5-9-18)24(32-33)16(2)30-23-20(22(27)28-14-29-23)25(36)31-17-7-6-10-19(35)13-17/h3-14,16,35H,1-2H3,(H,31,36)(H3,27,28,29,30)/t16-/m0/s1
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PC sid
UniChem
Article
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n/an/a 39n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM236935
PNG
(US9388189, 36)
Show SMILES C[C@H](Nc1ncnc(N)c1C(=O)Nc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H24N8O3/c1-15-11-12-33-21(15)26(37)34(18-8-4-3-5-9-18)24(32-33)16(2)30-23-20(22(27)28-14-29-23)25(36)31-17-7-6-10-19(35)13-17/h3-14,16,35H,1-2H3,(H,31,36)(H3,27,28,29,30)/t16-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate a...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM236935
PNG
(US9388189, 36)
Show SMILES C[C@H](Nc1ncnc(N)c1C(=O)Nc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H24N8O3/c1-15-11-12-33-21(15)26(37)34(18-8-4-3-5-9-18)24(32-33)16(2)30-23-20(22(27)28-14-29-23)25(36)31-17-7-6-10-19(35)13-17/h3-14,16,35H,1-2H3,(H,31,36)(H3,27,28,29,30)/t16-/m0/s1
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Article
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n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00873
BindingDB Entry DOI: 10.7270/Q2GB26MQ
More data for this
Ligand-Target Pair