Compile Data Set for Download or QSAR
maximum 50k data

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 17 hits in this display   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of human SERT expressed in HEK293 cells preincubated for 30 mins followed by fluorescent substrate addition measured after 30 mins by plat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck And

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck And

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes assessed as dextraomethorphan O-demethylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50:  8.20E+3nMAssay Description:Displacement of [3H]-diltiazem from human Cav1.2 channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50:  1.12E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50:  1.90E+4nMAssay Description:Binding affinity to human ERG channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: >2.00E+4nMAssay Description:Agonist activity at human beta2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: >2.00E+4nMAssay Description:Displacement of [125]I-cyanopindolol from human recombinant beta2 adrenergic receptor after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: >2.00E+4nMAssay Description:Displacement of [125]I-cyanopindolol from recombinant human beta1 adrenergic receptor after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: >2.00E+4nMAssay Description:Agonist activity at human beta1 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50:  3.00E+4nMAssay Description:Inhibition of human Nav1.2 channel expressed in Xenopus oocytes by two-intracellular microelectrode voltage clamp methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck And

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac alpha'-hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck And

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac alpha'-hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataEC50:  0.900nMAssay Description:Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataEC50:  0.980nMAssay Description:Agonist activity at human beta-3 adrenergic receptor expressed in CHO cells assessed as reduction in cAMP level after 30 mins by LANCE TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338821(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)
Affinity DataEC50:  0.980nMAssay Description:Agonist activity at human beta3 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed