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BDBM338883 US9751888, Compound 74

SMILES: C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(C)c1

InChI Key: InChIKey=PMWYKXDTVVCXBS-HNNXBMFYSA-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 = 338883   
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
PI3-kinase class I


(Homo sapiens (Human))
BDBM338883
PNG
(US9751888, Compound 74)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(C)c1 |r|
Show InChI InChI=1S/C25H21ClN6O2/c1-14-6-3-8-17(12-14)32-19(13-16-7-4-9-18(26)20(16)25(32)34)15(2)29-24(33)21-22(27)30-31-11-5-10-28-23(21)31/h3-13,15H,1-2H3,(H2,27,30)(H,29,33)/t15-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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))
BDBM338883
PNG
(US9751888, Compound 74)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(C)c1 |r|
Show InChI InChI=1S/C25H21ClN6O2/c1-14-6-3-8-17(12-14)32-19(13-16-7-4-9-18(26)20(16)25(32)34)15(2)29-24(33)21-22(27)30-31-11-5-10-28-23(21)31/h3-13,15H,1-2H3,(H2,27,30)(H,29,33)/t15-/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 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM338883
PNG
(US9751888, Compound 74)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(C)c1 |r|
Show InChI InChI=1S/C25H21ClN6O2/c1-14-6-3-8-17(12-14)32-19(13-16-7-4-9-18(26)20(16)25(32)34)15(2)29-24(33)21-22(27)30-31-11-5-10-28-23(21)31/h3-13,15H,1-2H3,(H2,27,30)(H,29,33)/t15-/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 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 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM338883
PNG
(US9751888, Compound 74)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(C)c1 |r|
Show InChI InChI=1S/C25H21ClN6O2/c1-14-6-3-8-17(12-14)32-19(13-16-7-4-9-18(26)20(16)25(32)34)15(2)29-24(33)21-22(27)30-31-11-5-10-28-23(21)31/h3-13,15H,1-2H3,(H2,27,30)(H,29,33)/t15-/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 5.50E+3n/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