Compile Data Set for Download or QSAR
Found 28 with Last Name = 'imran' and Initial = 'a'
TargetUrease [D459Y,K653P](Canavalia ensiformis (Jack bean))
Quaid-I-Azam University

LigandPNGBDBM152761([(E)-[2-(furan-2-yl)ethylidene]amino]thiourea (3f))copy SMILEScopy InChI
Affinity DataIC50: 580nMpH: 8.2Assay Description:Urease inhibition activity was determined by indophenol method. In brief, each 140 無 assay reaction contained 40 無 buffer (100 mM urea, 0.01 mM K2H...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55M71PubMed
TargetUrease [D459Y,K653P](Canavalia ensiformis (Jack bean))
Quaid-I-Azam University

LigandPNGBDBM152757([(E)-[2-(pyridin-3-yl)ethylidene]amino]thiourea (3...)copy SMILEScopy InChI
Affinity DataIC50: 2.41E+3nMpH: 8.2Assay Description:Urease inhibition activity was determined by indophenol method. In brief, each 140 無 assay reaction contained 40 無 buffer (100 mM urea, 0.01 mM K2H...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55M71PubMed
TargetUrease [D459Y,K653P](Canavalia ensiformis (Jack bean))
Quaid-I-Azam University

LigandPNGBDBM152756([(E)-[2-(pyridin-2-yl)ethylidene]amino]thiourea (3...)copy SMILEScopy InChI
Affinity DataIC50: 2.65E+3nMpH: 8.2Assay Description:Urease inhibition activity was determined by indophenol method. In brief, each 140 無 assay reaction contained 40 無 buffer (100 mM urea, 0.01 mM K2H...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55M71PubMed
TargetUrease [D459Y,K653P](Canavalia ensiformis (Jack bean))
Quaid-I-Azam University

LigandPNGBDBM152762([(E)-[2-(5-methylfuran-2-yl)ethylidene]amino]thiou...)copy SMILEScopy InChI
Affinity DataIC50: 3.23E+3nMpH: 8.2Assay Description:Urease inhibition activity was determined by indophenol method. In brief, each 140 無 assay reaction contained 40 無 buffer (100 mM urea, 0.01 mM K2H...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55M71PubMed
TargetUrease [D459Y,K653P](Canavalia ensiformis (Jack bean))
Quaid-I-Azam University

LigandPNGBDBM152766([(E)-{2-[4-(benzyloxy)phenyl]ethylidene}amino]thio...)copy SMILEScopy InChI
Affinity DataIC50: 3.64E+3nMpH: 8.2Assay Description:Urease inhibition activity was determined by indophenol method. In brief, each 140 無 assay reaction contained 40 無 buffer (100 mM urea, 0.01 mM K2H...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55M71PubMed
TargetUrease [D459Y,K653P](Canavalia ensiformis (Jack bean))
Quaid-I-Azam University

LigandPNGBDBM152765([(E)-(2-phenylethylidene)amino]thiourea (3j))copy SMILEScopy InChI
Affinity DataIC50: 4.24E+3nMpH: 8.2Assay Description:Urease inhibition activity was determined by indophenol method. In brief, each 140 無 assay reaction contained 40 無 buffer (100 mM urea, 0.01 mM K2H...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55M71PubMed
TargetUrease [D459Y,K653P](Canavalia ensiformis (Jack bean))
Quaid-I-Azam University

LigandPNGBDBM152768([(E)-[2-(pyren-1-yl)ethylidene]amino]thiourea (3m))copy SMILEScopy InChI
Affinity DataIC50: 4.84E+3nMpH: 8.2Assay Description:Urease inhibition activity was determined by indophenol method. In brief, each 140 無 assay reaction contained 40 無 buffer (100 mM urea, 0.01 mM K2H...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55M71PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50509618(CHEMBL4463663)copy SMILEScopy InChI
Affinity DataIC50: 8.78E+3nMAssay Description:Inhibition of human ERG expressed in human HEK293 cells by patch clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RF5Z9FPubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50559579(CHEMBL4754334)copy SMILES
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERG by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1Q9CPubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50509618(CHEMBL4463663)copy SMILEScopy InChI
Affinity DataIC50: 1.09E+4nMAssay Description:Inhibition of human ERG by competitive fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RF5Z9FPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50509618(CHEMBL4463663)copy SMILEScopy InChI
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of human CYP2C9 using tolubutamide as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RF5Z9FPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))TBA
LigandPNGBDBM50559580(CHEMBL4761323)copy SMILES
Affinity DataIC50: 1.83E+4nMAssay Description:Inhibition of human liver microsome CYP2C19 using S-mephenytoin as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1Q9CPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))TBA
LigandPNGBDBM50559579(CHEMBL4754334)copy SMILES
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of human liver microsome CYP2C19 using S-mephenytoin as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1Q9CPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50559579(CHEMBL4754334)copy SMILES
Affinity DataIC50: 2.08E+4nMAssay Description:Inhibition of human liver microsome CYP3A4 using sorafenib as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1Q9CPubMed
TargetUrease [D459Y,K653P](Canavalia ensiformis (Jack bean))
Quaid-I-Azam University

LigandPNGBDBM50229993(2-thiourea | CHEMBL260876 | Thiocarbamid | Thiohar...)copy SMILEScopy InChI
Affinity DataIC50: 2.10E+4nMpH: 8.2Assay Description:Urease inhibition activity was determined by indophenol method. In brief, each 140 無 assay reaction contained 40 無 buffer (100 mM urea, 0.01 mM K2H...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55M71PubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))TBA
LigandPNGBDBM50509618(CHEMBL4463663)copy SMILEScopy InChI
Affinity DataIC50: 2.31E+4nMAssay Description:Inhibition of human CYP2C19 using S-mephenytoin as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RF5Z9FPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50559580(CHEMBL4761323)copy SMILES
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human liver microsome CYP2C9 using tolbutamide as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1Q9CPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50559579(CHEMBL4754334)copy SMILES
Affinity DataIC50: 2.52E+4nMAssay Description:Inhibition of human liver microsome CYP2C9 using tolbutamide as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1Q9CPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))TBA
LigandPNGBDBM50559579(CHEMBL4754334)copy SMILES
Affinity DataIC50: 2.67E+4nMAssay Description:Inhibition of human liver microsome CYP2D6 using dextromethorphan as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1Q9CPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50509618(CHEMBL4463663)copy SMILEScopy InChI
Affinity DataIC50: 2.78E+4nMAssay Description:Inhibition of human CYP3A4 using sorafenib as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RF5Z9FPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))TBA
LigandPNGBDBM50559580(CHEMBL4761323)copy SMILES
Affinity DataIC50: 2.93E+4nMAssay Description:Inhibition of human liver microsome CYP2D6 using dextromethorphan as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1Q9CPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))TBA
LigandPNGBDBM50509618(CHEMBL4463663)copy SMILEScopy InChI
Affinity DataIC50: 3.26E+4nMAssay Description:Inhibition of human CYP2D6 using dextromethorphan as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RF5Z9FPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM50559580(CHEMBL4761323)copy SMILES
Affinity DataIC50: 4.10E+4nMAssay Description:Inhibition of human liver microsome CYP3A4 using sorafenib as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1Q9CPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50559579(CHEMBL4754334)copy SMILES
Affinity DataIC50: 4.55E+4nMAssay Description:Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1Q9CPubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM50559580(CHEMBL4761323)copy SMILES
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human ERG by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1Q9CPubMed
TargetUrease [D459Y,K653P](Canavalia ensiformis (Jack bean))
Quaid-I-Azam University

LigandPNGBDBM152767([(E)-{2-[4-(benzyloxy)-3-methoxyphenyl]ethylidene}...)copy SMILEScopy InChI
Affinity DataIC50: 7.51E+4nMpH: 8.2Assay Description:Urease inhibition activity was determined by indophenol method. In brief, each 140 無 assay reaction contained 40 無 buffer (100 mM urea, 0.01 mM K2H...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55M71PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50509618(CHEMBL4463663)copy SMILEScopy InChI
Affinity DataIC50: 8.11E+4nMAssay Description:Inhibition of human CYP1A2 using phenacetin as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RF5Z9FPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))TBA
LigandPNGBDBM50559580(CHEMBL4761323)copy SMILES
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 20 mins by LC-MS/MS with HPLC analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1Q9CPubMed