BDBM26984 CHEMBL1644697::CN(-1)::cyanide::iminomethanide

SMILES [C-]#N

InChI Key InChIKey=XFXPMWWXUTWYJX-UHFFFAOYSA-N

Data  40 KI

PDB links: 190 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 26984   

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  500nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at pH 7.5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  500nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  500nMAssay Description:Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  500nM ΔG°:  -8.45kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  500nMpH: 8.3Assay Description:Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay at pH 8.3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  2.00E+4nM ΔG°:  -6.30kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  2.00E+4nMAssay Description:Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  2.00E+4nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  2.00E+4nMpH: 8.3Assay Description:Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay at pH 8.3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  2.00E+4nMpH: 7.5Assay Description:Inhibition of human carbonic anhydrase 2 after 15 mins by CO2 hydrase assay at pH 7.5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  2.00E+4nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  3.30E+4nM ΔG°:  -6.01kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase(Methanosarcina thermophila)
Universit£

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  6.80E+5nMAssay Description:Inhibitory constant against Zn-Cam (Methanosarcina thermophila)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-carbonic anhydrase(Helicobacter pylori (strain G27))
Universit£

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  7.60E+5nM ΔG°:  -4.18kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase(Vibrio cholerae)
Universit£

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  5.70E+6nM ΔG°:  -3.01kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma carbonic anhydrase family protein(Vibrio cholerae)
Universit£

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Affinity DataKi:  8.40E+6nM ΔG°:  -2.78kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition of Vibrio cholerae recombinant carbonic anhydrase gamma expressed in Escherichia coli DE3 cells preincubated for 15 mins by stopped-flow C...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed