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BDBM338863 US9751888, Compound 53

SMILES: C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCCNS(C)(=O)=O

InChI Key: InChIKey=OJIAJKQPVHPNGF-ZDUSSCGKSA-N

Data: 4 IC50

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 4 hits for monomerid = 338863   
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 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM338863
PNG
(US9751888, Compound 53)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCCNS(C)(=O)=O |r|
Show InChI InChI=1S/C22H24ClN7O4S/c1-13(27-21(31)18-19(24)28-30-11-4-8-25-20(18)30)16-12-14-6-3-7-15(23)17(14)22(32)29(16)10-5-9-26-35(2,33)34/h3-4,6-8,11-13,26H,5,9-10H2,1-2H3,(H2,24,28)(H,27,31)/t13-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 750n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM338863
PNG
(US9751888, Compound 53)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCCNS(C)(=O)=O |r|
Show InChI InChI=1S/C22H24ClN7O4S/c1-13(27-21(31)18-19(24)28-30-11-4-8-25-20(18)30)16-12-14-6-3-7-15(23)17(14)22(32)29(16)10-5-9-26-35(2,33)34/h3-4,6-8,11-13,26H,5,9-10H2,1-2H3,(H2,24,28)(H,27,31)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM338863
PNG
(US9751888, Compound 53)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCCNS(C)(=O)=O |r|
Show InChI InChI=1S/C22H24ClN7O4S/c1-13(27-21(31)18-19(24)28-30-11-4-8-25-20(18)30)16-12-14-6-3-7-15(23)17(14)22(32)29(16)10-5-9-26-35(2,33)34/h3-4,6-8,11-13,26H,5,9-10H2,1-2H3,(H2,24,28)(H,27,31)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338863
PNG
(US9751888, Compound 53)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCCNS(C)(=O)=O |r|
Show InChI InChI=1S/C22H24ClN7O4S/c1-13(27-21(31)18-19(24)28-30-11-4-8-25-20(18)30)16-12-14-6-3-7-15(23)17(14)22(32)29(16)10-5-9-26-35(2,33)34/h3-4,6-8,11-13,26H,5,9-10H2,1-2H3,(H2,24,28)(H,27,31)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9751888 (2017)


BindingDB Entry DOI: 10.7270/Q2TB190M
More data for this
Ligand-Target Pair