BDBM50418802 CHEMBL1796298

SMILES O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncn2)cc1

InChI Key InChIKey=YNSKBMXZDCLQIV-UHFFFAOYSA-N

Data  22 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50418802   

TargetCytochrome P450 3A4(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
5/22/2013
Entry Details Article
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TargetCytochrome P450 2C19(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 5.01E+4nMAssay Description:Time dependent inhibition of CYP2C19More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
5/22/2013
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2C19(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
5/22/2013
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 1A2(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 5.01E+4nMAssay Description:Time dependent inhibition of CYP1A2More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
5/22/2013
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2C9(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 5.01E+4nMAssay Description:Time dependent inhibition of CYP2C9More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
5/22/2013
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2D6(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 5.01E+4nMAssay Description:Time dependent inhibition of CYP2D6More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
5/22/2013
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 3A4(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 5.01E+4nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
5/22/2013
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 5.01E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
5/22/2013
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 1A2(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
5/22/2013
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2C9(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
5/22/2013
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2D6(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
5/22/2013
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

Target72 kDa type IV collagenase(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MMP2 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
7/22/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCollagenase 3(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 100nMAssay Description:Inhibition of human recombinant MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala-Dap(Dnp)-NH2 substrateMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
5/22/2013
Entry Details Article
Copy Entry DOIPubMed
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TargetMacrophage metalloelastase(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MMP12 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
7/22/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetMatrix metalloproteinase-14(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MMP14 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysisMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
7/22/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 1A2(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
7/22/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2C9(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
7/22/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2C19(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 7.94E+3nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
7/22/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2D6(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
7/22/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 3A4(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
7/22/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetMatrix metalloproteinase-9(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MMP9 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
7/22/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCollagenase 3(Human)
Astrazeneca

Curated by ChEMBL

LigandBDBM50418802(CHEMBL1796298)Copy SMILESCopy InChI

Affinity DataIC50: 100nMAssay Description:Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysisMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
7/22/2012
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL