null

SMILES [C-]#N

InChI Key InChIKey=XFXPMWWXUTWYJX-UHFFFAOYSA-N

PDB links: 190 PDB IDs match this monomer. 9 PDB IDs contain this monomer as substructures. 9 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 26984   

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Istituto di Bioscienze e Biorisorse (IBBR)-CNR

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  500nMAssay Description:Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28054D1PubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Istituto di Bioscienze e Biorisorse (IBBR)-CNR

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2QN672RPubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Istituto di Bioscienze e Biorisorse (IBBR)-CNR

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  500nMAssay Description:Inhibition of human carbonic anhydrase-1 at 20 degC preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28S4SV8PubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Istituto di Bioscienze e Biorisorse (IBBR)-CNR

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2930VB8PubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Istituto di Bioscienze e Biorisorse (IBBR)-CNR

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  500nM ΔG°:  -8.45kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KD1W79PubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Istituto di Bioscienze e Biorisorse (IBBR)-CNR

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  500nMAssay Description:Inhibition of human recombinant wild type CA1 by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC846GPubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Istituto di Bioscienze e Biorisorse (IBBR)-CNR

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2VD70TXPubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Istituto di Bioscienze e Biorisorse (IBBR)-CNR

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2W9583BPubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Istituto di Bioscienze e Biorisorse (IBBR)-CNR

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2930TGNPubMed
TargetCarbonic anhydrase 15 [19-324](Mus musculus (mouse))
Universita degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  9.40E+3nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KD1W79PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2W9583BPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  2.00E+4nM ΔG°:  -6.30kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KD1W79PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  2.00E+4nMAssay Description:Inhibition of human carbonic anhydrase-2 at 20 degC preincubated for 15 mins by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28S4SV8PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  2.00E+4nMAssay Description:Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7DDZPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  2.00E+4nMAssay Description:Inhibition of human CA2 incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2028V0PPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  2.00E+4nMAssay Description:Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration incubated for 15 mins prior to testing by stopped flow C...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JD5012PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  2.00E+4nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins by Lineweaver-burk plot methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M047FFPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2930VB8PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  2.00E+4nMAssay Description:Inhibition of human recombinant wild type CA2 by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC846GPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2VD70TXPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q23X8806PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2930TGNPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2QN672RPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  2.00E+4nMAssay Description:Inhibition of human carbonic anhydrase-2 by CO2 hydration reaction based colorimetric stopped-flow methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8FK8PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2348N4MPubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  2.00E+4nMAssay Description:Inhibition of human CA2 after 15 mins by stopped-flow/Co2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JD4ZJ0PubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q28054D1PubMed
TargetCarbonic anhydrase(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2W9583BPubMed
TargetCarbonic anhydrase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
University of Florida

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  5.30E+5nMpH: 8.3Assay Description:Inhibition of human carbonic anhydrase-2 by CO2 hydration reaction based colorimetric stopped-flow methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8FK8PubMed
TargetCarbonic anhydrase(Helicobacter pylori)
Università degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  5.40E+5nM ΔG°:  -4.45kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S75F7KPubMed
TargetCarbonic anhydrase(Astrosclera willeyana)
Slovak Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  6.30E+5nMAssay Description:Inhibition of Astrosclera willeyana recombinant GST-tagged astrosclerin 3 expressed in Escherichia coli BL21-DE3-RIPL cells preincubated for 15 mins ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W66M7MPubMed
TargetCarbonic anhydrase(Methanosarcina thermophila)
Italy; Universit£ degliStudi di Firenze

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  6.80E+5nMAssay Description:Inhibition of Methanosarcina thermophila recombinant carbonic anhydrase gamma assessed as inhibition of CO2 hydration preincubated for 15 mins by Lin...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M047FFPubMed
TargetCarbonic anhydrase(Methanosarcina thermophila)
Italy; Universit£ degliStudi di Firenze

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  6.80E+5nMAssay Description:Inhibition of archaeon Methanosarcina thermophila gamma-CA after 15 mins by stopped-flow/Co2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JD4ZJ0PubMed
TargetCarbonic anhydrase(Methanosarcina thermophila)
Italy; Universit£ degliStudi di Firenze

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  6.80E+5nMAssay Description:Inhibitory constant against Zn-Cam (Methanosarcina thermophila)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H995ZDPubMed
TargetCarbonic anhydrase(Methanosarcina thermophila)
Italy; Universit£ degliStudi di Firenze

Curated by ChEMBL
LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  6.80E+5nMAssay Description:Inhibition of Methanosarcina thermophila recombinant gamma-CA by CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HX1F27PubMed
TargetAlpha-carbonic anhydrase(Helicobacter pylori (strain G27))
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2W9583BPubMed
TargetAlpha-carbonic anhydrase(Helicobacter pylori)
Università degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  7.60E+5nM ΔG°:  -4.25kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S75F7KPubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
Affinity DataKi:  7.70E+5nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KD1W79PubMed
TargetCarbonic anhydrase(Vibrio cholerae)
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2W9583BPubMed
TargetGamma carbonic anhydrase family protein(Vibrio cholerae)
Universit£ degli Studi di Firenze

LigandPNGBDBM26984(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2W9583BPubMed