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BDBM50271150 CHEMBL4127116

SMILES: CC(Nc1cc(F)cc(F)c1)c1cc(cc2ncc(nc12)N1CCOCC1)C(=O)NCCN(C)C

InChI Key: InChIKey=FVGWYTCJVNLXLY-UHFFFAOYSA-N

Data: 2 IC50  5 Kd

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 7 hits for monomerid = 50271150   
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 beta isoform


(Homo sapiens (Human))		BDBM50271150
PNG
(CHEMBL4127116)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2ncc(nc12)N1CCOCC1)C(=O)NCCN(C)C
Show InChI InChI=1S/C25H30F2N6O2/c1-16(30-20-13-18(26)12-19(27)14-20)21-10-17(25(34)28-4-5-32(2)3)11-22-24(21)31-23(15-29-22)33-6-8-35-9-7-33/h10-16,30H,4-9H2,1-3H3,(H,28,34)
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n/an/a 3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human PC3 cells assessed as reduction in AKT phosphorylation at Thr308 residue measured after 60 mins by ELISA

ACS Med Chem Lett 8: 778-780 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00254
BindingDB Entry DOI: 10.7270/Q2TT4TFM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50271150
PNG
(CHEMBL4127116)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2ncc(nc12)N1CCOCC1)C(=O)NCCN(C)C
Show InChI InChI=1S/C25H30F2N6O2/c1-16(30-20-13-18(26)12-19(27)14-20)21-10-17(25(34)28-4-5-32(2)3)11-22-24(21)31-23(15-29-22)33-6-8-35-9-7-33/h10-16,30H,4-9H2,1-3H3,(H,28,34)
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n/an/an/a>3.02E+4n/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human MTOR (L1382 to W2549 residues) expressed in mammalian expression system by KINOMEScan assay

ACS Med Chem Lett 8: 778-780 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00254
BindingDB Entry DOI: 10.7270/Q2TT4TFM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50271150
PNG
(CHEMBL4127116)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2ncc(nc12)N1CCOCC1)C(=O)NCCN(C)C
Show InChI InChI=1S/C25H30F2N6O2/c1-16(30-20-13-18(26)12-19(27)14-20)21-10-17(25(34)28-4-5-32(2)3)11-22-24(21)31-23(15-29-22)33-6-8-35-9-7-33/h10-16,30H,4-9H2,1-3H3,(H,28,34)
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n/an/an/a 2.51E+3n/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human PIK3Calpha (R108 to N1068 residues) expressed in mammalian expression system by KINOMEScan assay

ACS Med Chem Lett 8: 778-780 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00254
BindingDB Entry DOI: 10.7270/Q2TT4TFM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50271150
PNG
(CHEMBL4127116)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2ncc(nc12)N1CCOCC1)C(=O)NCCN(C)C
Show InChI InChI=1S/C25H30F2N6O2/c1-16(30-20-13-18(26)12-19(27)14-20)21-10-17(25(34)28-4-5-32(2)3)11-22-24(21)31-23(15-29-22)33-6-8-35-9-7-33/h10-16,30H,4-9H2,1-3H3,(H,28,34)
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n/an/a 6n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human PC3 cells assessed as reduction in AKT phosphorylation at S473 residue measured after 60 mins by ELISA

ACS Med Chem Lett 8: 778-780 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00254
BindingDB Entry DOI: 10.7270/Q2TT4TFM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50271150
PNG
(CHEMBL4127116)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2ncc(nc12)N1CCOCC1)C(=O)NCCN(C)C
Show InChI InChI=1S/C25H30F2N6O2/c1-16(30-20-13-18(26)12-19(27)14-20)21-10-17(25(34)28-4-5-32(2)3)11-22-24(21)31-23(15-29-22)33-6-8-35-9-7-33/h10-16,30H,4-9H2,1-3H3,(H,28,34)
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n/an/an/a 0.100n/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human PIK3Cbeta (P118 to S1070 residues) expressed in mammalian expression system by KINOMEScan assay

ACS Med Chem Lett 8: 778-780 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00254
BindingDB Entry DOI: 10.7270/Q2TT4TFM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50271150
PNG
(CHEMBL4127116)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2ncc(nc12)N1CCOCC1)C(=O)NCCN(C)C
Show InChI InChI=1S/C25H30F2N6O2/c1-16(30-20-13-18(26)12-19(27)14-20)21-10-17(25(34)28-4-5-32(2)3)11-22-24(21)31-23(15-29-22)33-6-8-35-9-7-33/h10-16,30H,4-9H2,1-3H3,(H,28,34)
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n/an/an/a 102n/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human PIK3Cdelta (R108 to Q1044 residues) expressed in mammalian expression system by KINOMEScan assay

ACS Med Chem Lett 8: 778-780 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00254
BindingDB Entry DOI: 10.7270/Q2TT4TFM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50271150
PNG
(CHEMBL4127116)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2ncc(nc12)N1CCOCC1)C(=O)NCCN(C)C
Show InChI InChI=1S/C25H30F2N6O2/c1-16(30-20-13-18(26)12-19(27)14-20)21-10-17(25(34)28-4-5-32(2)3)11-22-24(21)31-23(15-29-22)33-6-8-35-9-7-33/h10-16,30H,4-9H2,1-3H3,(H,28,34)
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n/an/an/a 1.74E+3n/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human PIK3Cgamma (S144 to A1102 residues) expressed in mammalian expression system by KINOMEScan assay

ACS Med Chem Lett 8: 778-780 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00254
BindingDB Entry DOI: 10.7270/Q2TT4TFM
More data for this
Ligand-Target Pair