Compile Data Set for Download or QSAR
maximum 50k data
Found 34 Enz. Inhib. hit(s) with all data for entry = 50037604
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)
Affinity DataIC50:  0.450nMAssay Description:Inhibitory concentration against FKBP12 receptorMore data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM36609(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)
Affinity DataIC50:  0.450nMAssay Description:Inhibitory concentration against binding to FKBP12More data for this Ligand-Target Pair
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172395((1R,9S,12R,21S,22S,24S,27R)-1-Hydroxy-22-methoxy-1...)
Affinity DataIC50:  9.60nMAssay Description:Inhibitory concentration against binding to FKBP12More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172395((1R,9S,12R,21S,22S,24S,27R)-1-Hydroxy-22-methoxy-1...)
Affinity DataIC50:  9.60nMAssay Description:Inhibitory concentration against FKBP12 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172384(3-[4-(4-Carbamimidoyl-piperazin-1-yl)-3-nitro-benz...)
Affinity DataIC50:  14nMAssay Description:Inhibitory concentration against alpha IIb beta-3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172384(3-[4-(4-Carbamimidoyl-piperazin-1-yl)-3-nitro-benz...)
Affinity DataIC50:  14nMAssay Description:Inhibitory concentration against integrin alpha-2b beta3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172364(2-{[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24...)
Affinity DataIC50:  15.0nMAssay Description:Inhibitory concentration against synaptosome using [3H]PbTx-3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172364(2-{[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24...)
Affinity DataIC50:  15.0nMAssay Description:Inhibitory concentration against synaptosomes using [3H]PbTx-3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome c oxidase subunit NDUFA4(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172374(2,2-Dimethyl-6-[1-(3,4,5-trimethoxy-benzyl)-vinyl]...)
Affinity DataIC50:  18nMAssay Description:Inhibitory concentration against NADH-ubiquinone oxidoreductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome c oxidase subunit NDUFA4(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172374(2,2-Dimethyl-6-[1-(3,4,5-trimethoxy-benzyl)-vinyl]...)
Affinity DataIC50:  18nMAssay Description:Inhibitory concentration against NADH ubiquinone oxidoreductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome c oxidase subunit NDUFA4(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172381(2,2-Dimethyl-2H-chromene-6-carboxylic acid 3,4,5-t...)
Affinity DataIC50:  55nMAssay Description:Inhibitory concentration against NADH ubiquinone oxidoreductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome c oxidase subunit NDUFA4(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172381(2,2-Dimethyl-2H-chromene-6-carboxylic acid 3,4,5-t...)
Affinity DataIC50:  55nMAssay Description:Inhibitory concentration against NADH-ubiquinone oxidoreductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  2.80E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50117090((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...)
Affinity DataIC50:  2.80E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172380(CHEMBL370148 | Truncated brevetoxin B)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory concentration against synaptosome using [3H]PbTx-3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172380(CHEMBL370148 | Truncated brevetoxin B)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory concentration against synaptosomes using [3H]PbTx-3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50117078(CHEMBL197081 | CHEMBL312123 | N-[2-(4-Amino-phenyl...)
Affinity DataIC50:  3.50E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50117078(CHEMBL197081 | CHEMBL312123 | N-[2-(4-Amino-phenyl...)
Affinity DataIC50:  3.50E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50117083(3-(3-Bromo-phenyl)-N-[2-(4-fluoro-phenyldisulfanyl...)
Affinity DataIC50:  9.00E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50117083(3-(3-Bromo-phenyl)-N-[2-(4-fluoro-phenyldisulfanyl...)
Affinity DataIC50:  9.00E+4nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50117087(CHEMBL194868 | CHEMBL312219 | N-[2-(4-Amino-phenyl...)
Affinity DataIC50:  1.85E+5nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50117087(CHEMBL194868 | CHEMBL312219 | N-[2-(4-Amino-phenyl...)
Affinity DataIC50:  1.85E+5nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50117080(3-(3,5-Difluoro-phenyl)-N-[2-(4-fluoro-phenyldisul...)
Affinity DataIC50:  2.72E+6nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMycothiol S-conjugate amidase(Mycobacterium tuberculosis)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50117080(3-(3,5-Difluoro-phenyl)-N-[2-(4-fluoro-phenyldisul...)
Affinity DataIC50:  2.72E+6nMAssay Description:Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50167161((E)-3-{3-[Cyclohexanecarbonyl-(4'-dimethylamino-bi...)
Affinity DataEC50:  25nMAssay Description:Effective concentration against farnesoid X receptor (FXR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172340(1-[1-(5-Methoxy-2,2-dimethyl-2H-chromen-6-yl)-ethy...)
Affinity DataEC50:  3.50E+4nMAssay Description:Effective concentration to inhibit production of hypoxia inducible factor 1-alpha proteinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172373(CHEMBL197473 | Cyclopropanecarboxylic acid (8-meth...)
Affinity DataEC50:  1.00E+4nMAssay Description:Effective concentration towards farnesoid X receptor (FXR); Range is 5-10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50167161((E)-3-{3-[Cyclohexanecarbonyl-(4'-dimethylamino-bi...)
Affinity DataEC50:  25nMAssay Description:Effective concentration towards farnesoid X receptor (FXR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172379((8E,10E)-(5S,9R)-20,20,20-Trifluoro-5,12-dihydroxy...)
Affinity DataEC50:  3nMAssay Description:Effective concentration required to inhibit 5-lipoxygenase by 50%More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172358(Biphenyl-4-carboxylic acid (2,2-dimethyl-2H-chrome...)
Affinity DataEC50:  1nMAssay Description:Effective concentration against PPAR delta receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172358(Biphenyl-4-carboxylic acid (2,2-dimethyl-2H-chrome...)
Affinity DataEC50:  1.00E+3nMAssay Description:Effective concentration towards PPAR deltaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHypoxia-inducible factor 1-alpha(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172340(1-[1-(5-Methoxy-2,2-dimethyl-2H-chromen-6-yl)-ethy...)
Affinity DataEC50:  3.50E+4nMAssay Description:Effective concentration to inhibit production of hypoxia inducible factor 1-alpha proteinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172379((8E,10E)-(5S,9R)-20,20,20-Trifluoro-5,12-dihydroxy...)
Affinity DataEC50:  3nMAssay Description:Effective concentration required to inhibit 5-lipoxygenase by 50%More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50172373(CHEMBL197473 | Cyclopropanecarboxylic acid (8-meth...)
Affinity DataEC50:  1.00E+4nMAssay Description:Effective concentration against farnesoid X receptor (FXR); range is 5-10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed