BDBM13604 6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl]phenyl}-2-(1-methoxy-3-methylbutyl)quinoline-8-phosphonic acid::Aryldifluoromethyl-Phosphonic Acid Inhibitor 11::CHEMBL266753

SMILES COC(CC(C)C)c1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1

InChI Key InChIKey=USHZWXCUJLENMD-UHFFFAOYSA-N

Data  20 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 13604   

TargetTyrosine-protein phosphatase non-receptor type 1 [1-298](Human)
Merck Research Laboratories

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  5nMpH: 6.3 T: 22°CAssay Description:Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...More data for this Ligand-Target Pair

Target InfoPDBMMDB
UniProtKB/SwissProt
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Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Stony Brook University

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  39nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  1.13E+3nMAssay Description:Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  1.13E+3nMAssay Description:Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  41nMAssay Description:Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetReceptor-type tyrosine-protein phosphatase C(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  5.00E+4nMAssay Description:Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetReceptor-type tyrosine-protein phosphatase C(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  5.00E+4nMAssay Description:Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Stony Brook University

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  7nMAssay Description:Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Stony Brook University

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  280nMAssay Description:Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
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TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Stony Brook University

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  5nMAssay Description:Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
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TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Stony Brook University

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  5.34E+3nMAssay Description:Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
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TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Stony Brook University

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  58nMAssay Description:Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Stony Brook University

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  100nMAssay Description:Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Stony Brook University

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  5.34E+3nMAssay Description:Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
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TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Stony Brook University

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  280nMAssay Description:Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
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TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  36nMAssay Description:Inhibitory activity against T cell protein tyrosine phosphataseMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetReceptor-type tyrosine-protein phosphatase C(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  5.00E+4nMAssay Description:Inhibitory activity against CD45 protein-tyrosine phosphataseMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Stony Brook University

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  5nMAssay Description:Inhibition of flag-tagged PTP1B (1 to 321 residues) (unknown origin) expressed in bacterial expression system by UV/Vis spectrophotometryMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
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TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  36nMAssay Description:Inhibition of TCPTP (unknown origin) by UV/Vis spectrophotometryMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
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TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL

LigandBDBM13604(6-{4-[2-(1H-1,2,3-benzotriazol-1-yl)-3-{4-[difluor...)Copy SMILESCopy InChI

Affinity DataIC50:  36nMpH: 6.3 T: 22°CAssay Description:Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
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