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BDBM50234169 CHEMBL4101902

SMILES: Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1

InChI Key: InChIKey=YPTMZNNBDPEMOK-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50234169   
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
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))		BDBM50234169
PNG
(CHEMBL4101902)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit...

Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))		BDBM50234169
PNG
(CHEMBL4101902)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a 2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi...

Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))		BDBM50234169
PNG
(CHEMBL4101902)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a 140n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged recombinant human DYRK1A expressed in baculovirus expression system

Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair
Casein kinase I isoform gamma-3


(Homo sapiens (Human))		BDBM50234169
PNG
(CHEMBL4101902)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a 460n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged recombinant human CSNK1G3 expressed in baculovirus expression system

Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50234169
PNG
(CHEMBL4101902)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a>300n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged truncated recombinant human ECE1 expressed in mammalian expression system

Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50234169
PNG
(CHEMBL4101902)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
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Article
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n/an/a 0.800n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)

J Med Chem 62: 4783-4814 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01298
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50234169
PNG
(CHEMBL4101902)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta-mediated AKT phosphorylation at ser473 residue in human JeKo1 cells preincubated for 60 mins followed by anti-IgM stimulation...

Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))		BDBM50234169
PNG
(CHEMBL4101902)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a 3.98E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit...

Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))		BDBM50234169
PNG
(CHEMBL4101902)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit...

Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50234169
PNG
(CHEMBL4101902)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a 1.59E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substr...

Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))		BDBM50234169
PNG
(CHEMBL4101902)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a 330n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged recombinant human DYRK1B expressed in baculovirus expression system

Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50234169
PNG
(CHEMBL4101902)
Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
Show InChI InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
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n/an/a 600n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of 5HT1A receptor (unknown origin)

Bioorg Med Chem Lett 27: 679-687 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00MM
More data for this
Ligand-Target Pair