BDBM50240520 (isothiocyanatomethyl)benzene::BITC, 17::Benzylsenfoel::CHEMBL55285::Isothiocyanic acid, benzyl ester::alpha-isothiocyanatotoluene::benzyl isothiocyanate

SMILES S=C=NCc1ccccc1

InChI Key InChIKey=MDKCFLQDBWCQCV-UHFFFAOYSA-N

Data  3 KI  4 IC50  1 Kd  7 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50240520   

TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
Ecole Polytechnique FÉDÉRale De Lausanne

LigandPNGBDBM50240520((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Affinity DataKi:  790nM IC50:  6.50E+3nMpH: 6.5Assay Description:The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
Ecole Polytechnique FÉDÉRale De Lausanne

LigandPNGBDBM50240520((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Affinity DataKi:  4.30E+3nMAssay Description:Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B1(Rattus norvegicus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50240520((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Affinity DataKi:  5.80E+3nMAssay Description:Mechanism based inhibition of rat cytochrome P450 CYP2B1 measured by 7-EFC O-deethylation activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
Ecole Polytechnique FÉDÉRale De Lausanne

LigandPNGBDBM50240520((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Affinity DataIC50:  540nMAssay Description:Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
Ecole Polytechnique FÉDÉRale De Lausanne

LigandPNGBDBM50240520((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Affinity DataKd:  2.90E+3nMAssay Description:Displacement of 4'-(7-Hydroxy-2-oxo-2H-chromen-3-yl)-[1,1'-biphenyl]-4-carboxylic acid from C-terminal His-tagged recombinant human MIF expressed in ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
University Of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50240520((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Affinity DataEC50:  2.23E+5nMAssay Description:Activation of human TRPV1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University Of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50240520((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Affinity DataEC50:  250nMAssay Description:Activation of human TRPA1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University Of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50240520((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Affinity DataEC50:  1.55E+4nMAssay Description:Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at -30 mV holding potential by patch-clamp electrophysiologyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University Of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50240520((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Affinity DataEC50:  319nMAssay Description:Activation of TRPA1 channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
Ecole Polytechnique FÉDÉRale De Lausanne

LigandPNGBDBM50240520((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Affinity DataIC50:  790nMAssay Description:Inhibition of recombinant human MIF expressed in Escherichia coli BL21(DE3) using L-dopa as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University Of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50240520((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Affinity DataEC50:  2.40E+4nMAssay Description:Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at 75 mV holding potential by patch-clamp electrophysiologyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University Of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50240520((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Affinity DataEC50:  2.75E+4nMAssay Description:Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at -75 mV holding potential by patch-clamp electrophysiologyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
University Of Shizuoka

Curated by ChEMBL
LigandPNGBDBM50240520((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Affinity DataEC50:  1.10E+4nMAssay Description:Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as time point of maximal current amplitude by patch-clamp electrophysiologyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
Ecole Polytechnique FÉDÉRale De Lausanne

LigandPNGBDBM50240520((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Affinity DataIC50:  530nMAssay Description:Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed