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SMILES: Cc1ccccc1-n1c(nc2cccc(Cl)c2c1=O)[C@@H]1CCCN1c1ncnc(N)c1C#N

InChI Key: InChIKey=OLEJSHATGSJSDW-IBGZPJMESA-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 6 hits for monomerid = 50043010   
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))		BDBM50043010
PNG
(CHEMBL3355011)
Show SMILES Cc1ccccc1-n1c(nc2cccc(Cl)c2c1=O)[C@@H]1CCCN1c1ncnc(N)c1C#N |r,wD:19.21,(7.54,-2.66,;8.88,-3.43,;10.2,-2.66,;11.55,-3.43,;11.54,-4.97,;10.21,-5.74,;8.87,-4.96,;7.54,-5.72,;7.54,-7.28,;6.19,-8.05,;4.85,-7.27,;3.52,-8.04,;2.19,-7.27,;2.19,-5.72,;3.52,-4.95,;3.51,-3.41,;4.85,-5.72,;6.2,-4.94,;6.2,-3.4,;8.87,-8.05,;10.27,-7.42,;11.3,-8.57,;10.52,-9.9,;9.02,-9.58,;7.87,-10.6,;6.41,-10.11,;5.26,-11.14,;5.57,-12.65,;7.04,-13.13,;7.36,-14.64,;8.18,-12.1,;9.65,-12.58,;11.11,-13.05,)|
Show InChI InChI=1S/C24H20ClN7O/c1-14-6-2-3-9-18(14)32-23(30-17-8-4-7-16(25)20(17)24(32)33)19-10-5-11-31(19)22-15(12-26)21(27)28-13-29-22/h2-4,6-9,13,19H,5,10-11H2,1H3,(H2,27,28,29)/t19-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) by TR-FRET assay

ACS Med Chem Lett 6: 15-6 (2015)


Article DOI: 10.1021/ml500435u
BindingDB Entry DOI: 10.7270/Q2ZG6TW0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50043010
PNG
(CHEMBL3355011)
Show SMILES Cc1ccccc1-n1c(nc2cccc(Cl)c2c1=O)[C@@H]1CCCN1c1ncnc(N)c1C#N |r,wD:19.21,(7.54,-2.66,;8.88,-3.43,;10.2,-2.66,;11.55,-3.43,;11.54,-4.97,;10.21,-5.74,;8.87,-4.96,;7.54,-5.72,;7.54,-7.28,;6.19,-8.05,;4.85,-7.27,;3.52,-8.04,;2.19,-7.27,;2.19,-5.72,;3.52,-4.95,;3.51,-3.41,;4.85,-5.72,;6.2,-4.94,;6.2,-3.4,;8.87,-8.05,;10.27,-7.42,;11.3,-8.57,;10.52,-9.9,;9.02,-9.58,;7.87,-10.6,;6.41,-10.11,;5.26,-11.14,;5.57,-12.65,;7.04,-13.13,;7.36,-14.64,;8.18,-12.1,;9.65,-12.58,;11.11,-13.05,)|
Show InChI InChI=1S/C24H20ClN7O/c1-14-6-2-3-9-18(14)32-23(30-17-8-4-7-16(25)20(17)24(32)33)19-10-5-11-31(19)22-15(12-26)21(27)28-13-29-22/h2-4,6-9,13,19H,5,10-11H2,1H3,(H2,27,28,29)/t19-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) by TR-FRET assay

ACS Med Chem Lett 6: 15-6 (2015)


Article DOI: 10.1021/ml500435u
BindingDB Entry DOI: 10.7270/Q2ZG6TW0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50043010
PNG
(CHEMBL3355011)
Show SMILES Cc1ccccc1-n1c(nc2cccc(Cl)c2c1=O)[C@@H]1CCCN1c1ncnc(N)c1C#N |r,wD:19.21,(7.54,-2.66,;8.88,-3.43,;10.2,-2.66,;11.55,-3.43,;11.54,-4.97,;10.21,-5.74,;8.87,-4.96,;7.54,-5.72,;7.54,-7.28,;6.19,-8.05,;4.85,-7.27,;3.52,-8.04,;2.19,-7.27,;2.19,-5.72,;3.52,-4.95,;3.51,-3.41,;4.85,-5.72,;6.2,-4.94,;6.2,-3.4,;8.87,-8.05,;10.27,-7.42,;11.3,-8.57,;10.52,-9.9,;9.02,-9.58,;7.87,-10.6,;6.41,-10.11,;5.26,-11.14,;5.57,-12.65,;7.04,-13.13,;7.36,-14.64,;8.18,-12.1,;9.65,-12.58,;11.11,-13.05,)|
Show InChI InChI=1S/C24H20ClN7O/c1-14-6-2-3-9-18(14)32-23(30-17-8-4-7-16(25)20(17)24(32)33)19-10-5-11-31(19)22-15(12-26)21(27)28-13-29-22/h2-4,6-9,13,19H,5,10-11H2,1H3,(H2,27,28,29)/t19-/m0/s1
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n/an/a 5.21E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) by TR-FRET assay

ACS Med Chem Lett 6: 15-6 (2015)


Article DOI: 10.1021/ml500435u
BindingDB Entry DOI: 10.7270/Q2ZG6TW0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50043010
PNG
(CHEMBL3355011)
Show SMILES Cc1ccccc1-n1c(nc2cccc(Cl)c2c1=O)[C@@H]1CCCN1c1ncnc(N)c1C#N |r,wD:19.21,(7.54,-2.66,;8.88,-3.43,;10.2,-2.66,;11.55,-3.43,;11.54,-4.97,;10.21,-5.74,;8.87,-4.96,;7.54,-5.72,;7.54,-7.28,;6.19,-8.05,;4.85,-7.27,;3.52,-8.04,;2.19,-7.27,;2.19,-5.72,;3.52,-4.95,;3.51,-3.41,;4.85,-5.72,;6.2,-4.94,;6.2,-3.4,;8.87,-8.05,;10.27,-7.42,;11.3,-8.57,;10.52,-9.9,;9.02,-9.58,;7.87,-10.6,;6.41,-10.11,;5.26,-11.14,;5.57,-12.65,;7.04,-13.13,;7.36,-14.64,;8.18,-12.1,;9.65,-12.58,;11.11,-13.05,)|
Show InChI InChI=1S/C24H20ClN7O/c1-14-6-2-3-9-18(14)32-23(30-17-8-4-7-16(25)20(17)24(32)33)19-10-5-11-31(19)22-15(12-26)21(27)28-13-29-22/h2-4,6-9,13,19H,5,10-11H2,1H3,(H2,27,28,29)/t19-/m0/s1
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n/an/a<3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) assessed as PI3Kalpha-mediated Akt1/2 (S473) phosphorylation rate by cellular assay

ACS Med Chem Lett 6: 15-6 (2015)


Article DOI: 10.1021/ml500435u
BindingDB Entry DOI: 10.7270/Q2ZG6TW0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50043010
PNG
(CHEMBL3355011)
Show SMILES Cc1ccccc1-n1c(nc2cccc(Cl)c2c1=O)[C@@H]1CCCN1c1ncnc(N)c1C#N |r,wD:19.21,(7.54,-2.66,;8.88,-3.43,;10.2,-2.66,;11.55,-3.43,;11.54,-4.97,;10.21,-5.74,;8.87,-4.96,;7.54,-5.72,;7.54,-7.28,;6.19,-8.05,;4.85,-7.27,;3.52,-8.04,;2.19,-7.27,;2.19,-5.72,;3.52,-4.95,;3.51,-3.41,;4.85,-5.72,;6.2,-4.94,;6.2,-3.4,;8.87,-8.05,;10.27,-7.42,;11.3,-8.57,;10.52,-9.9,;9.02,-9.58,;7.87,-10.6,;6.41,-10.11,;5.26,-11.14,;5.57,-12.65,;7.04,-13.13,;7.36,-14.64,;8.18,-12.1,;9.65,-12.58,;11.11,-13.05,)|
Show InChI InChI=1S/C24H20ClN7O/c1-14-6-2-3-9-18(14)32-23(30-17-8-4-7-16(25)20(17)24(32)33)19-10-5-11-31(19)22-15(12-26)21(27)28-13-29-22/h2-4,6-9,13,19H,5,10-11H2,1H3,(H2,27,28,29)/t19-/m0/s1
PDB
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n/an/a 70n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) assessed as PI3Kalpha-mediated Akt1/2 (S473) phosphorylation rate by cellular assay

ACS Med Chem Lett 6: 15-6 (2015)


Article DOI: 10.1021/ml500435u
BindingDB Entry DOI: 10.7270/Q2ZG6TW0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50043010
PNG
(CHEMBL3355011)
Show SMILES Cc1ccccc1-n1c(nc2cccc(Cl)c2c1=O)[C@@H]1CCCN1c1ncnc(N)c1C#N |r,wD:19.21,(7.54,-2.66,;8.88,-3.43,;10.2,-2.66,;11.55,-3.43,;11.54,-4.97,;10.21,-5.74,;8.87,-4.96,;7.54,-5.72,;7.54,-7.28,;6.19,-8.05,;4.85,-7.27,;3.52,-8.04,;2.19,-7.27,;2.19,-5.72,;3.52,-4.95,;3.51,-3.41,;4.85,-5.72,;6.2,-4.94,;6.2,-3.4,;8.87,-8.05,;10.27,-7.42,;11.3,-8.57,;10.52,-9.9,;9.02,-9.58,;7.87,-10.6,;6.41,-10.11,;5.26,-11.14,;5.57,-12.65,;7.04,-13.13,;7.36,-14.64,;8.18,-12.1,;9.65,-12.58,;11.11,-13.05,)|
Show InChI InChI=1S/C24H20ClN7O/c1-14-6-2-3-9-18(14)32-23(30-17-8-4-7-16(25)20(17)24(32)33)19-10-5-11-31(19)22-15(12-26)21(27)28-13-29-22/h2-4,6-9,13,19H,5,10-11H2,1H3,(H2,27,28,29)/t19-/m0/s1
PDB
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n/an/a 5.21E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) assessed as PI3Kalpha-mediated Akt1/2 (S473) phosphorylation rate by cellular assay

ACS Med Chem Lett 6: 15-6 (2015)


Article DOI: 10.1021/ml500435u
BindingDB Entry DOI: 10.7270/Q2ZG6TW0
More data for this
Ligand-Target Pair