BDBM50532757 CHEMBL4461070

SMILES c1cc(ccc1c2ccc3nnc(n3n2)Sc4ccc5c(c4)sc(n5)NC(=O)NCCN6CCOCC6)F

InChI Key InChIKey=ODIUNTQOXRXOIV-UHFFFAOYSA-N

Data  12 IC50  2 Kd

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50532757   

TargetHepatocyte growth factor receptor(Human)
Sanofi-Aventis Germany

Curated by ChEMBL

LigandBDBM50532757(CHEMBL4461070)Copy SMILESCopy InChI

Affinity DataIC50: 6nMAssay Description:Inhibition of phosphorylated MET M1250T mutant (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptid...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
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TargetHepatocyte growth factor receptor(Human)
Sanofi-Aventis Germany

Curated by ChEMBL

LigandBDBM50532757(CHEMBL4461070)Copy SMILESCopy InChI

Affinity DataIC50: 204nMAssay Description:Inhibition of phosphorylated MET Y1230H mutant (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptid...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetHepatocyte growth factor receptor(Human)
Sanofi-Aventis Germany

Curated by ChEMBL

LigandBDBM50532757(CHEMBL4461070)Copy SMILESCopy InChI

Affinity DataIC50: 5nMAssay Description:Inhibition of phosphorylated MET in human MKN45 cells assessed as reduction in pMET Y1230/1234/1235 level incubated for 1 hr by ELISAMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetHepatocyte growth factor receptor(Human)
Sanofi-Aventis Germany

Curated by ChEMBL

LigandBDBM50532757(CHEMBL4461070)Copy SMILESCopy InChI

Affinity DataIC50: 4nMAssay Description:Inhibition of wild type phosphorylated MET (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptide ad...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetHepatocyte growth factor receptor(Human)
Sanofi-Aventis Germany

Curated by ChEMBL

LigandBDBM50532757(CHEMBL4461070)Copy SMILESCopy InChI

Affinity DataIC50: 64nMAssay Description:Inhibition of phosphorylated MET L1195V mutant (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptid...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetHepatocyte growth factor receptor(Human)
Sanofi-Aventis Germany

Curated by ChEMBL

LigandBDBM50532757(CHEMBL4461070)Copy SMILESCopy InChI

Affinity DataKd:  0.900nMAssay Description:Binding affinity to MET (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetCytochrome P450 3A4(Human)
Sanofi-Aventis Germany

Curated by ChEMBL

LigandBDBM50532757(CHEMBL4461070)Copy SMILESCopy InChI

Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase and human b5 reductase assessed as reduction in 7-Hydroxyquinoline prod...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetHepatocyte growth factor receptor(Human)
Sanofi-Aventis Germany

Curated by ChEMBL

LigandBDBM50532757(CHEMBL4461070)Copy SMILESCopy InChI

Affinity DataKd:  0.900nMAssay Description:Binding affinity to MET (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetCytochrome P450 3A4(Human)
Sanofi-Aventis Germany

Curated by ChEMBL

LigandBDBM50532757(CHEMBL4461070)Copy SMILESCopy InChI

Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase and human b5 reductase assessed as reduction in 7-Hydroxyquinoline prod...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetHepatocyte growth factor receptor(Human)
Sanofi-Aventis Germany

Curated by ChEMBL

LigandBDBM50532757(CHEMBL4461070)Copy SMILESCopy InChI

Affinity DataIC50: 4nMAssay Description:Inhibition of wild type phosphorylated MET (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptide ad...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetHepatocyte growth factor receptor(Human)
Sanofi-Aventis Germany

Curated by ChEMBL

LigandBDBM50532757(CHEMBL4461070)Copy SMILESCopy InChI

Affinity DataIC50: 64nMAssay Description:Inhibition of phosphorylated MET L1195V mutant (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptid...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetHepatocyte growth factor receptor(Human)
Sanofi-Aventis Germany

Curated by ChEMBL

LigandBDBM50532757(CHEMBL4461070)Copy SMILESCopy InChI

Affinity DataIC50: 204nMAssay Description:Inhibition of phosphorylated MET Y1230H mutant (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptid...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetHepatocyte growth factor receptor(Human)
Sanofi-Aventis Germany

Curated by ChEMBL

LigandBDBM50532757(CHEMBL4461070)Copy SMILESCopy InChI

Affinity DataIC50: 6nMAssay Description:Inhibition of phosphorylated MET M1250T mutant (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptid...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetHepatocyte growth factor receptor(Human)
Sanofi-Aventis Germany

Curated by ChEMBL

LigandBDBM50532757(CHEMBL4461070)Copy SMILESCopy InChI

Affinity DataIC50: 5nMAssay Description:Inhibition of phosphorylated MET in human MKN45 cells assessed as reduction in pMET Y1230/1234/1235 level incubated for 1 hr by ELISAMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/27/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL