Compile Data Set for Download or QSAR
Found 37 Enz. Inhib. hit(s) with all data for entry = 50018278
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))TBA
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)copy SMILEScopy InChI
Affinity DataKi:  4.60nMAssay Description:Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeaeMore data for this Ligand-Target Pair
In DepthDetails DrugBank
LigandPNGBDBM50410554(CHEMBL5273513)copy SMILEScopy InChI
Affinity DataKi:  11nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM436576((S)-2-amino-9-methyl- 6-(3-(3-(methylamino)- 1-(th...)copy SMILEScopy InChI
Affinity DataKi:  454nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails
TargetHistamine H3 receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50410545(CHEMBL5289089)copy SMILEScopy InChI
Affinity DataIC50: 0.320nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
TargetAromatase(Homo sapiens (Human))TBA
LigandPNGBDBM10016(4-{[(4-bromophenyl)methyl](4H-1,2,4-triazol-4-yl)a...)copy SMILEScopy InChI
Affinity DataIC50: 0.5nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails
TargetAromatase(Homo sapiens (Human))TBA
LigandPNGBDBM10020((2-bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl...)copy SMILEScopy InChI
Affinity DataIC50: 0.820nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
TargetHistamine H3 receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50263293(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)copy SMILEScopy InChI
Affinity DataIC50: 1.70nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50410546(CHEMBL26159)copy SMILEScopy InChI
Affinity DataIC50: 1.80nMAssay Description:Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeaeMore data for this Ligand-Target Pair
In DepthDetails
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM50109171(CHEMBL122591 | [(S)-1-((S)-1-Methyl-2-oxo-ethylcar...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
TargetInterstitial collagenase(Homo sapiens (Human))TBA
LigandPNGBDBM50031795((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50241116(CHEMBL4066332)copy SMILEScopy InChI
Affinity DataIC50: 4.10nMAssay Description:Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeaeMore data for this Ligand-Target Pair
In DepthDetails
TargetThromboxane-A synthase(Homo sapiens (Human))TBA
LigandPNGBDBM50410550(CHEMBL5270846)copy SMILEScopy InChI
Affinity DataIC50: 4.70nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))TBA
LigandPNGBDBM50410553(CHEMBL5265846)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))TBA
LigandPNGBDBM436576((S)-2-amino-9-methyl- 6-(3-(3-(methylamino)- 1-(th...)copy SMILEScopy InChI
Affinity DataIC50: 7nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50410549(CHEMBL556716)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
TargetSteryl-sulfatase(Homo sapiens (Human))TBA
LigandPNGBDBM13058(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))TBA
LigandPNGBDBM30130(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails DrugBank
TargetAcetylcholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM50410553(CHEMBL5265846)copy SMILEScopy InChI
Affinity DataIC50: 14nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM50109169((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-((S)-1-met...)copy SMILEScopy InChI
Affinity DataIC50: 15nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
TargetInterstitial collagenase(Homo sapiens (Human))TBA
LigandPNGBDBM50109169((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-((S)-1-met...)copy SMILEScopy InChI
Affinity DataIC50: 25nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
TargetVitamin D3 receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50410547(CHEMBL5280769)copy SMILEScopy InChI
Affinity DataIC50: 32nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails
TargetSteryl-sulfatase(Homo sapiens (Human))TBA
LigandPNGBDBM10020((2-bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl...)copy SMILEScopy InChI
Affinity DataIC50: 39nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))TBA
LigandPNGBDBM50410552(CHEMBL5269984)copy SMILEScopy InChI
Affinity DataIC50: 42nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)copy SMILEScopy InChI
Affinity DataIC50: 48nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
TargetVitamin D3 receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50410548(CHEMBL5272411)copy SMILEScopy InChI
Affinity DataIC50: 87nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
TargetAcetylcholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM50410552(CHEMBL5269984)copy SMILEScopy InChI
Affinity DataIC50: 101nMAssay Description:Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeaeMore data for this Ligand-Target Pair
In DepthDetails
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))TBA
LigandPNGBDBM25116(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)copy SMILEScopy InChI
Affinity DataIC50: 170nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50282192(CHEMBL4163321)copy SMILEScopy InChI
Affinity DataIC50: 320nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
TargetThromboxane-A synthase(Homo sapiens (Human))TBA
LigandPNGBDBM50003795(5-[1-Pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-met...)copy SMILEScopy InChI
Affinity DataIC50: 500nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails DrugBank
TargetProcathepsin L(Homo sapiens (Human))TBA
LigandPNGBDBM50031795((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeaeMore data for this Ligand-Target Pair
In DepthDetails
TargetInterstitial collagenase(Homo sapiens (Human))TBA
LigandPNGBDBM50109171(CHEMBL122591 | [(S)-1-((S)-1-Methyl-2-oxo-ethylcar...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
TargetAmyloid-beta precursor protein(Homo sapiens (Human))TBA
LigandPNGBDBM50410545(CHEMBL5289089)copy SMILEScopy InChI
Affinity DataIC50: 2.85E+3nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))TBA
LigandPNGBDBM50282192(CHEMBL4163321)copy SMILEScopy InChI
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails
TargetAcetylcholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 4.15E+3nMAssay Description:Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeaeMore data for this Ligand-Target Pair
In DepthDetails DrugBank
TargetAmyloid-beta precursor protein(Homo sapiens (Human))TBA
LigandPNGBDBM50410543(CHEMBL88041)copy SMILEScopy InChI
Affinity DataIC50: 5.60E+4nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails
TargetBile acid receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50569591(CHEMBL4854082)copy SMILES
Affinity DataEC50:  280nMAssay Description:Inhibitory activity to dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBile acid receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50241116(CHEMBL4066332)copy SMILEScopy InChI
Affinity DataEC50:  20nMAssay Description:Inhibitory activity against dihydrofolate reductase in rat liverMore data for this Ligand-Target Pair
In DepthDetails