BDBM50188337 CHEMBL2058057

SMILES c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br

InChI Key InChIKey=NRCCYFAMXZIJSC-UHFFFAOYSA-N

Data  2 KI  16 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50188337   

TargetCytochrome P450 2C19(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human CYP2C19 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2019
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Human)
Srinath College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 11nMAssay Description:Inhibition of human recombinant full length TNKS1 (1030 to 1317 residues) expressed in Escherichia coli assessed as inhibition by fluorescence based ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A1(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 8.20E+3nMAssay Description:Inhibition of human CYP1A1 expressed in yeast microsomal membranes using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin as substrate by fluorescence assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 3nMAssay Description:Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP3A4 expressed in yeast microsomal membranes using dibenzylfluorescein as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2D6 expressed in yeast microsomal membranes using 7-ethoxy-methyloxy-3-cyanocoumarin as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP1A2 expressed in yeast microsomal membranes using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin/7-ethoxy-methyloxy-3-cyanocoumari...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2019
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase 1(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2017
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human CYP2C9 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 25nMAssay Description:Inhibition of recombinant human liver CYP1B1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of recombinant human liver CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 60nMAssay Description:Inhibition of recombinant human CYP1B1 expressed in yeast cells using 7-ethoxyresorufin as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in yeast cells using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2019
Entry Details Article
PubMed
TargetPoly [ADP-ribose] polymerase tankyrase-1(Human)
Srinath College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 224nMAssay Description:Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase tankyrase-2(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 101nMAssay Description:Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPoly [ADP-ribose] polymerase 2(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2017
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
North-West University

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
North-West University

Curated by ChEMBL
LigandPNGBDBM50188337(CHEMBL2058057)
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [3H]NECA from Sprague-Dawley rat striatal membrane A2A adenosine receptor by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed