Compile Data Set for Download or QSAR
maximum 50k data
Found 873 with Last Name = 'jin' and Initial = 'b'
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Istituto Di Chimica Biomolecolare (Icb)

Curated by ChEMBL
LigandPNGBDBM50204090(CHEMBL3958859)
Affinity DataKi:  0.000590nMAssay Description:Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by Dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Istituto Di Chimica Biomolecolare (Icb)

Curated by ChEMBL
LigandPNGBDBM50204086(Avarol-3''-Thiosalicylate | CHEMBL238756)
Affinity DataKi:  0.0585nMAssay Description:Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by Dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Istituto Di Chimica Biomolecolare (Icb)

Curated by ChEMBL
LigandPNGBDBM50204087(CHEMBL3920392)
Affinity DataKi:  0.221nMAssay Description:Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by Dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456223(CHEMBL4206892)
Affinity DataKi:  5.5nMAssay Description:Inhibition of human ALDH1A1 using propionaldehyde as substrate and varied concentration of NAD+ as cofactor preincubated for 15 mins followed by subs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456222(CHEMBL4206272)
Affinity DataKi:  7.20nMAssay Description:Inhibition of human ALDH1A1 using propionaldehyde as substrate and varied concentration of NAD+ as cofactor preincubated for 15 mins followed by subs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456222(CHEMBL4206272)
Affinity DataKi:  23nMAssay Description:Inhibition of human ALDH1A1 using NAD+ as cofactor and varied concentration of propionaldehyde as substrate preincubated for 15 mins followed by subs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456223(CHEMBL4206892)
Affinity DataKi:  26nMAssay Description:Inhibition of human ALDH1A1 using NAD+ as cofactor and varied concentration of propionaldehyde as substrate preincubated for 15 mins followed by subs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma intracellular receptor 2(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50606398(ML-246 | Metarrestin | Ml-246)
Affinity DataKi:  244nMAssay Description:Binding affinity to sigma2 receptor (unknown origin) by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50606398(ML-246 | Metarrestin | Ml-246)
Affinity DataKi:  1.22E+3nMAssay Description:Binding affinity to alpha2C receptor (unknown origin) by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50606398(ML-246 | Metarrestin | Ml-246)
Affinity DataKi:  3.26E+3nMAssay Description:Binding affinity to alpha1D receptor (unknown origin) by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50606398(ML-246 | Metarrestin | Ml-246)
Affinity DataKi:  3.41E+3nMAssay Description:Binding affinity to DAT receptor (unknown origin) by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50606398(ML-246 | Metarrestin | Ml-246)
Affinity DataKi:  3.56E+3nMAssay Description:Binding affinity to H1 receptor (unknown origin) by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMetallo-beta-lactamase type 2(Klebsiella pneumoniae)
The Hong Kong Polytechnic University

Curated by ChEMBL
LigandPNGBDBM50548231(CHEMBL4753599)
Affinity DataKi:  1.70E+4nMAssay Description:Inhibition of wild type N-terminal His6-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21 assessed as inhibition constant using n...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50165355((2R,4S)-3-(acetylamino)-4-{[(E)-amino(imino)methyl...)
Affinity DataIC50:  0.770nMAssay Description:Inhibitory concentration against neuraminidase of influenza A/Mem/Bel/71 (H3N1) virus starin; (n=5)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
Istituto Di Chimica Biomolecolare (Icb)

Curated by ChEMBL
LigandPNGBDBM8961(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate incubated for 15 mins followed by substrate addition by Ellman's methodMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50165355((2R,4S)-3-(acetylamino)-4-{[(E)-amino(imino)methyl...)
Affinity DataIC50:  2.48nMAssay Description:Inhibitory concentration against neuraminidase of influenza A/PR/8/34 (H1N1) virus starin; (n=5)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM50337934((R)-3-(2,3-dihydroxypropoxy)-6-fluoro-5-(2-fluoro-...)
Affinity DataIC50:  3.10nMAssay Description:Inhibition of MEK1 by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM50337929((S)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...)
Affinity DataIC50:  3.20nMAssay Description:Inhibition of MEK1 by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM50337926((R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...)
Affinity DataIC50:  3.20nMAssay Description:Inhibition of MEK1 by IMAP assayMore data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50165355((2R,4S)-3-(acetylamino)-4-{[(E)-amino(imino)methyl...)
Affinity DataIC50:  3.25nMAssay Description:Inhibitory concentration against neuraminidase of influenza A/Chicken/Vietnam/8/2004(H5N1) virus starin; (n=5)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM50337933(3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-...)
Affinity DataIC50:  3.30nMAssay Description:Inhibition of MEK1 by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM1711(CHEMBL1684067 | US8470837, 8)
Affinity DataIC50:  3.80nMAssay Description:Inhibition of MEK1 by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM50337932(5-(2-fluoro-4-iodophenylamino)-3-(2-hydroxyethyl)-...)
Affinity DataIC50:  4nMAssay Description:Inhibition of MEK1 by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM50337920((R)-3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-iodophen...)
Affinity DataIC50:  4.60nMAssay Description:Inhibition of MEK1 by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM50337928((R)-3-(2,3-dihydroxypropyl)-5-(4-ethynyl-2-fluorop...)
Affinity DataIC50:  4.80nMAssay Description:Inhibition of MEK1 by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM50337937(5-(2-fluoro-4-iodophenylamino)-3-(3-hydroxypropyl)...)
Affinity DataIC50:  4.90nMAssay Description:Inhibition of MEK1 by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM1714(CHEMBL1684071 | US8470837, 13)
Affinity DataIC50:  5nMAssay Description:Inhibition of MEK1 by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456309(CHEMBL4207222)
Affinity DataIC50:  5nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM50337924((R)-6-chloro-3-(2,3-dihydroxypropyl)-5-(2-fluoro-4...)
Affinity DataIC50:  5.90nMAssay Description:Inhibition of MEK1 by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456228(CHEMBL4215704)
Affinity DataIC50:  6nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456233(CHEMBL4211904)
Affinity DataIC50:  6nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456224(CHEMBL4207514)
Affinity DataIC50:  6nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456249(CHEMBL4212671)
Affinity DataIC50:  6nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456223(CHEMBL4206892)
Affinity DataIC50:  6.5nMAssay Description:Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of paclitaxel-mediated cytotoxicity by measuring paclitaxel IC50 at 30 uM after...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456235(CHEMBL4209722)
Affinity DataIC50:  7nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456216(CHEMBL4206606)
Affinity DataIC50:  7nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456254(CHEMBL4202680)
Affinity DataIC50:  7nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456223(CHEMBL4206892)
Affinity DataIC50:  7nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456232(CHEMBL4207617)
Affinity DataIC50:  7nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456222(CHEMBL4206272)
Affinity DataIC50:  7nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50165356((2R,4S)-4-carbamimidamido-2-[(1R)-1-({[12-({[(1R)-...)
Affinity DataIC50:  7.86nMAssay Description:Inhibitory concentration against neuraminidase of influenza A/Mem/Bel/71 (H3N1) virus starin; (n=5)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456267(CHEMBL4218688)
Affinity DataIC50:  8nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456247(CHEMBL4213848)
Affinity DataIC50:  8nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456265(CHEMBL4212891)
Affinity DataIC50:  8nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM1710(CHEMBL1684064 | US8470837, 5)
Affinity DataIC50:  8.30nMAssay Description:Inhibition of MEK1 by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM1716(CHEMBL1684072 | US8470837, 17)
Affinity DataIC50:  8.60nMAssay Description:Inhibition of MEK1 by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456244(CHEMBL4213604)
Affinity DataIC50:  9nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456312(CHEMBL4217115)
Affinity DataIC50:  9nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456217(CHEMBL4214724)
Affinity DataIC50:  9nMAssay Description:Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50456223(CHEMBL4206892)
Affinity DataIC50:  9.20nMAssay Description:Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of paclitaxel-mediated cytotoxicity by measuring paclitaxel IC50 at 20 uM after...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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