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BDBM50396625 CHEMBL2171934::US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-3-methyl-2-phenylquinoline

SMILES: Cc1c(nc2ccccc2c1N1CC(C)(C)c2ccc(cc12)N1CCOCC1)-c1ccccc1

InChI Key: InChIKey=ACWBFWBJDDHSBS-UHFFFAOYSA-N

Data: 1 KI  3 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 = 50396625   
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))
BDBM50396625
PNG
(CHEMBL2171934 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)
Show SMILES Cc1c(nc2ccccc2c1N1CC(C)(C)c2ccc(cc12)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C30H31N3O/c1-21-28(22-9-5-4-6-10-22)31-26-12-8-7-11-24(26)29(21)33-20-30(2,3)25-14-13-23(19-27(25)33)32-15-17-34-18-16-32/h4-14,19H,15-18,20H2,1-3H3
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US Patent
85.4n/an/an/an/an/an/a7.0n/a



Amgen Inc.

US Patent


Assay Description
A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI...


US Patent US8765940 (2014)


BindingDB Entry DOI: 10.7270/Q2WW7G94
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50396625
PNG
(CHEMBL2171934 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)
Show SMILES Cc1c(nc2ccccc2c1N1CC(C)(C)c2ccc(cc12)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C30H31N3O/c1-21-28(22-9-5-4-6-10-22)31-26-12-8-7-11-24(26)29(21)33-20-30(2,3)25-14-13-23(19-27(25)33)32-15-17-34-18-16-32/h4-14,19H,15-18,20H2,1-3H3
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PC sid
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Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50396625
PNG
(CHEMBL2171934 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)
Show SMILES Cc1c(nc2ccccc2c1N1CC(C)(C)c2ccc(cc12)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C30H31N3O/c1-21-28(22-9-5-4-6-10-22)31-26-12-8-7-11-24(26)29(21)33-20-30(2,3)25-14-13-23(19-27(25)33)32-15-17-34-18-16-32/h4-14,19H,15-18,20H2,1-3H3
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Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50396625
PNG
(CHEMBL2171934 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)
Show SMILES Cc1c(nc2ccccc2c1N1CC(C)(C)c2ccc(cc12)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C30H31N3O/c1-21-28(22-9-5-4-6-10-22)31-26-12-8-7-11-24(26)29(21)33-20-30(2,3)25-14-13-23(19-27(25)33)32-15-17-34-18-16-32/h4-14,19H,15-18,20H2,1-3H3
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PC sid
UniChem

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Article
PubMed
n/an/a 91n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human B cells assessed as inhibition of anti-IgM/CD40L-induced proliferation after 72 hrs by [3H]thymidine incorporation a...


J Med Chem 55: 7667-85 (2012)


Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0
More data for this
Ligand-Target Pair