BDBM50094702 1H-indole::CHEMBL15844::Indol::Indole, 7::indole

SMILES c1cc2ccccc2[nH]1

InChI Key InChIKey=SIKJAQJRHWYJAI-UHFFFAOYSA-N

Data  5 KI  6 Kd  1 EC50  2 ITC

PDB links: 19 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 12 hits for monomerid = 50094702   

TargetCarbonic anhydrase 4(Homo sapiens (Human))
Ondokuz Mayis University

Curated by ChEMBL
LigandPNGBDBM50094702(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Affinity DataKi:  2.33E+3nMAssay Description:Inhibition of human carbonic anhydrase 4 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Ondokuz Mayis University

Curated by ChEMBL
LigandPNGBDBM50094702(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Affinity DataKi:  3.63E+3nMAssay Description:Inhibition of human carbonic anhydrase 6 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 3(Bos taurus (Cattle))
Ondokuz Mayis University

Curated by ChEMBL
LigandPNGBDBM50094702(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Affinity DataKi:  1.76E+4nMAssay Description:Inhibition of bovine carbonic anhydrase 3 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analys...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ondokuz Mayis University

Curated by ChEMBL
LigandPNGBDBM50094702(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Affinity DataKi:  2.74E+4nMAssay Description:Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Ondokuz Mayis University

Curated by ChEMBL
LigandPNGBDBM50094702(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Affinity DataKi:  3.25E+4nMAssay Description:Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Kyoto University Shogoin-Kawaharacho

Curated by ChEMBL
LigandPNGBDBM50094702(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Affinity DataEC50:  7.52E+4nMAssay Description:Agonist activity at TRPA1 (unknown origin) by calcium imaging assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50094702(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Affinity DataKd:  3.00E+6nMAssay Description:Inhibition of human adenosine kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-L/beta-2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50094702(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Affinity DataKd:  3.00E+5nMAssay Description:Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50094702(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Affinity DataKd:  3.00E+6nMAssay Description:Dissociation constant against adenosine kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-L/beta-2(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50094702(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Affinity DataKd:  3.00E+5nMAssay Description:Dissociation constant for Leukocyte function associated antigen 1 (LFA-1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndolysin [L99A](Enterobacteria phage T4)
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50094702(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Affinity DataKd:  2.90E+5nMAssay Description:Dissociation constant against T4 lysozyme mutant L99AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTrp operon repressor(Escherichia coli (strain K12))
University Of Chicago

LigandPNGBDBM50094702(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Affinity DataKd:  2.51E+4nMAssay Description:Binding assay of L-trptophan and analogues to trp aporepressorMore data for this Ligand-Target Pair
In DepthDetails PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 50094702   

HostPNGBDBM36284(BDBM36303 | BDBM36310 | Methyl Viologen-Cucurbit[8...)
University Of Cambridge

GuestPNGBDBM50094702(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
ITC DataΔG°: -7.19kcal/mole −TΔS°: 2.60kcal/mole ΔH°: -9.79kcal/mole logk: 1.80E+5
pH: 7.0 T: 25.00°C 
HostPNGBDBM36284(BDBM36303 | BDBM36310 | Methyl Viologen-Cucurbit[8...)
University Of Cambridge

GuestPNGBDBM50094702(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
ITC DataΔG°: -7.94kcal/mole logk: 6.70E+5
pH: 7.0 T: 25.00°C