BDBM50512947 CHEMBL4545044

SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1OC

InChI Key InChIKey=XPSAGIQSESMIJK-UHFFFAOYSA-N

Data  3 KI  10 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50512947   

TargetTyrosine-protein kinase ABL1(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50512947(CHEMBL4545044)Copy SMILESCopy InChI

Affinity DataIC50: 8.70E+3nMAssay Description:Inhibition of recombinant human ABL using Ulight-TK peptide as substrate measured after 30 mins by LANCE assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 1A2(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50512947(CHEMBL4545044)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2C19(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50512947(CHEMBL4545044)Copy SMILESCopy InChI

Affinity DataIC50: 2.28E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50512947(CHEMBL4545044)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG by electrophysiology methodMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50512947(CHEMBL4545044)Copy SMILESCopy InChI

Affinity DataIC50: 6.60E+3nMAssay Description:Inhibition of recombinant human PDE4D2 using [3H]cAMP as substrate measured after 20 mins by scintillation counting analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2C9(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50512947(CHEMBL4545044)Copy SMILESCopy InChI

Affinity DataIC50: 1.45E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50512947(CHEMBL4545044)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2D6(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50512947(CHEMBL4545044)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetSodium channel protein type 5 subunit alpha(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50512947(CHEMBL4545044)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Nav1.5 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2C8(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50512947(CHEMBL4545044)Copy SMILESCopy InChI

Affinity DataIC50: 1.52E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50512947(CHEMBL4545044)Copy SMILESCopy InChI

Affinity DataKi:  0.640nMAssay Description:Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50512947(CHEMBL4545044)Copy SMILESCopy InChI

Affinity DataKi:  2.5nMAssay Description:Displacement of [3H]-flumazenil from human GABAA alpha3beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetGamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50512947(CHEMBL4545044)Copy SMILESCopy InChI

Affinity DataKi:  33nMAssay Description:Displacement of [3H]-flumazenil from human GABAA alpha5beta2gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL