BindingDB BDBM50393342 CHEMBL2152252

BDBM50393342 CHEMBL2152252

SMILES CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F

InChI Key InChIKey=GEYLKEHPEKRUTC-UHFFFAOYSA-N

Data 30 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50393342

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: 18nMAssay Description:Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assayMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed PDB

3D Structure (crystal)

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Homo sapiens (Human))
Amgen

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: 18nMAssay Description:Inhibition of PI3KdeltaMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: 2.06E+3nMAssay Description:Inhibition of human PI3Kbeta expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescenc...More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform(Homo sapiens (Human))
Amgen

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: 690nMAssay Description:Inhibition of human PI3Kdelta expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescen...More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Potassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: 1.73E+4nMAssay Description:Inhibition of human Erg expressed in CHO cells after 5 minsMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Cytochrome P450 1A2(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >2.00E+4nMAssay Description:Inhibition of human CYP1A2 using phenacetin as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Cytochrome P450 2C19(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >2.00E+4nMAssay Description:Inhibition of human CYP2C19 using mephenytoin as substrate after 45 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Cytochrome P450 2C8(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: 2.33E+3nMAssay Description:Inhibition of human CYP2C8 using paclitaxel as substrate after 45 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Cytochrome P450 2C9(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: 591nMAssay Description:Inhibition of human CYP2C9 using tolbutamide as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Cytochrome P450 3A4(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >2.00E+4nMAssay Description:Inhibition of human CYP3A4 using testosterone as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

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RAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >3.60E+3nMAssay Description:Inhibition of AKT1More data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Hepatocyte growth factor receptor(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >3.60E+3nMAssay Description:Inhibition of c-MetMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Cell division cycle 7-related protein kinase(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >3.60E+3nMAssay Description:Inhibition of CDC7More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

RAF proto-oncogene serine/threonine-protein kinase(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: 206nMAssay Description:Inhibition of CRAF1More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Epidermal growth factor receptor(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: 739nMAssay Description:Inhibition of EGFRMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Fibroblast growth factor receptor 1(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >3.60E+3nMAssay Description:Inhibition of FGFR1More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Receptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >3.60E+3nMAssay Description:Inhibition of Flt3More data for this Ligand-Target Pair

PDB NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Insulin receptor(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >3.60E+3nMAssay Description:Inhibition of IRKMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Tyrosine-protein kinase JAK2(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >3.60E+3nMAssay Description:Inhibition of JAK2More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Vascular endothelial growth factor receptor 2(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >3.60E+3nMAssay Description:Inhibition of KDRMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Platelet-derived growth factor receptor beta(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >3.60E+3nMAssay Description:Inhibition of Platelet-derived growth factor subunit BMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

3-phosphoinositide-dependent protein kinase 1(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >3.60E+3nMAssay Description:Inhibition of PDK1More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Proto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >3.60E+3nMAssay Description:Inhibition of SRCMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Serine/threonine-protein kinase mTOR(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: 623nMAssay Description:Inhibition of mTORMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: 773nMAssay Description:Inhibition of human PI3Kgamma expressed in C5a-stimulated mouse RAW 264.7 cells assessed as inhibition of AKT phosphorylation by ELISAMore data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed PDB

3D Structure (crystal)

Aurora kinase B(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >3.60E+3nMAssay Description:Inhibition of Aurora kinase BMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Serine/threonine-protein kinase Chk1(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >3.60E+3nMAssay Description:Inhibition of CHK1More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Cytochrome P450 3A4(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >2.00E+4nMAssay Description:Inhibition of human CYP3A4 using midazolam as substrate after 15 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: >3.60E+3nMAssay Description:Inhibition of CDK1/CyclinBMore data for this Ligand-Target Pair

PDB Reactome pathway
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
Exelixis

Curated by ChEMBL

BDBM50393342(CHEMBL2152252)

IC50: 435nMAssay Description:Inhibition of human PI3Kalpha expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescen...More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL MMDB PC cid PC sid PDB Similars

Details Article PubMed

Filter my 30 hits

Targets 27▿
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 2
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 2
- Cytochrome P450 3A4 2
- 3-phosphoinositide-dependent protein kinase 1 1
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
- Receptor-type tyrosine-protein kinase FLT3 1
- Serine/threonine-protein kinase mTOR 1
- Cell division cycle 7-related protein kinase 1
- RAF proto-oncogene serine/threonine-protein kinase 1
- Potassium voltage-gated channel subfamily H member 2 1
- Epidermal growth factor receptor 1
- RAC-alpha serine/threonine-protein kinase 1
- Cytochrome P450 1A2 1
- Serine/threonine-protein kinase Chk1 1
- Tyrosine-protein kinase JAK2 1
- Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 1
- Hepatocyte growth factor receptor 1
- Platelet-derived growth factor receptor beta 1
- Cytochrome P450 2C9 1
- Proto-oncogene tyrosine-protein kinase Src 1
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
- Cytochrome P450 2C19 1
- Aurora kinase B 1
- Vascular endothelial growth factor receptor 2 1
- Insulin receptor 1
- Fibroblast growth factor receptor 1 1
- Cytochrome P450 2C8 1
Publications 2▿
- J Med Chem 55: 5467-82 (2012) 29
- J Med Chem 55: 8559-81 (2012) 1
Institutions 2▿
- Exelixis 29
- Amgen 1
Affinity: 18 to 2.0E+4 nM▿
- IC50 30
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 0