BDBM7960 1H-1,3-benzodiazol-2-amine::2-Aminobenzimidazole::CHEMBL305513::CRA Fragment 9::Imidazole C-2 deriv. 3::JMC524454 Compound 5::US11584714, Compound 46

SMILES Nc1nc2ccccc2[nH]1

InChI Key InChIKey=JWYUFVNJZUSCSM-UHFFFAOYSA-N

Data  6 KI  8 IC50  1 Kd

PDB links: 25 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 7960   

TargetUrokinase-type plasminogen activator(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibitory activity against Urokinase-type plasminogen activatorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [copper-containing] 3(Human)
Astellas Pharma

Curated by ChEMBL
LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMembrane primary amine oxidase(Rat)
Astellas Pharma

Curated by ChEMBL
LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetOxidized purine nucleoside triphosphate hydrolase(Human)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataKd:  1.80E+4nMAssay Description:Binding affinity to recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by isother...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetOxidized purine nucleoside triphosphate hydrolase(Human)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataIC50: 4.40E+4nMAssay Description:Inhibition of recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP as substrate incubated for 15 min...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTranscriptional activator protein LasR(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Modern University For Technology and Information Mti

Curated by ChEMBL
LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of Pseudomonas aeruginosa PAO-JP2 LasR co-transfected with LVAgfp reporter assessed as inhibition of GFP production by fluorescence based ...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetTranscriptional activator protein LasR(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Modern University For Technology and Information Mti

Curated by ChEMBL
LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of Pseudomonas aeruginosa PAO-JG21 LasR co-transfected with LVAgfp reporter assessed as inhibition of GFP production by fluorescence based...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetTranscriptional activator protein LasR(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Modern University For Technology and Information Mti

Curated by ChEMBL
LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataIC50: 3.99E+5nMAssay Description:Inhibition of Pseudomonas aeruginosa PAO1 LasRMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetHTH-type quorum-sensing regulator RhlR(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Modern University For Technology and Information Mti

Curated by ChEMBL
LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataIC50: 2.85E+5nMAssay Description:Inhibition of Pseudomonas aeruginosa PAO1 RhlRMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetMannan-binding lectin serine protease 2(Human)
Omeros

US Patent
LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataKi:  6.25E+4nMAssay Description:The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetMannan-binding lectin serine protease 2(Human)
Omeros

US Patent
LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataKi:  6.25E+4nMMore data for this Ligand-Target Pair
In DepthDetails

LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataKi:  1.80E+6nMAssay Description:QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTryptase beta-2(Human)
Celera

LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataKi:  1.10E+5nM ΔG°:  -5.34kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSerine protease 1(Bovine)
Celera

LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataKi:  2.00E+5nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPteridine reductase(Trypanosoma brucei brucei)
University of Dundee

LigandPNGBDBM7960(CHEMBL305513 | JMC524454 Compound 5 | 1H-1,3-benzo...)
Affinity DataKi:  2.88E+5nM ΔG°:  -4.79kcal/molepH: 6.0 T: 2°CAssay Description:TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)