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LigandPNGBDBM391716(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 1 | ...)
Affinity DataKi:  0.0200nMAssay Description:Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

LigandPNGBDBM50539955(CHEMBL4638938)
Affinity DataKi:  0.0251nMAssay Description:Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

LigandPNGBDBM391726(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 11 |...)
Affinity DataKi:  0.0316nMAssay Description:Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50184069(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)
Affinity DataKi:  0.0316nMAssay Description:Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

LigandPNGBDBM391723(3,5-dibromo-Nalpha-{[4-(2- | US10300056, Example 8...)
Affinity DataKi:  0.0398nMAssay Description:Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

LigandPNGBDBM391725(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 10 |...)
Affinity DataKi:  0.0631nMAssay Description:Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

LigandPNGBDBM391718(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 3 | ...)
Affinity DataKi:  0.0794nMAssay Description:Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

LigandPNGBDBM391724(3,5-dibromo-Nalpha-{[4-(2- | US10300056, Example 9...)
Affinity DataKi:  0.0794nMAssay Description:Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

LigandPNGBDBM50539954(CHEMBL4636143)
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096730(4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...)
Affinity DataIC50:  4nMAssay Description:Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096734((S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-...)
Affinity DataIC50:  4nMAssay Description:Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096726(4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...)
Affinity DataIC50:  4nMAssay Description:Binding affinity towards 5-hydroxytryptamine 3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096729((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Benzylaminooxaly...)
Affinity DataIC50:  4nMAssay Description:Binding affinity towards 5-hydroxytryptamine 3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096727((S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-...)
Affinity DataIC50:  6nMAssay Description:Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096728((S)-4-((S)-1-{(S)-1-[(S)-1-((S)-1-Amino-2-carbamoy...)
Affinity DataIC50:  7nMAssay Description:Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096725(4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...)
Affinity DataIC50:  7nMAssay Description:Inhibitory activity against delta receptor of (endomorphin 2) in mouse vas deferens was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096733(4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...)
Affinity DataIC50:  7nMAssay Description:Binding affinity towards 5-hydroxytryptamine 3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096732(4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...)
Affinity DataIC50:  8nMAssay Description:Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096724((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Aminooxalyl-pent...)
Affinity DataIC50:  11nMAssay Description:Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetChymotrypsin-C(Human)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096724((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Aminooxalyl-pent...)
Affinity DataIC50:  300nMAssay Description:Compound was tested for inhibition of Serine protease chymotrypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096731(4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSodium channel protein type 5 subunit alpha(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM50614230(CHEMBL5284353)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human Nav1.5 by automated patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

LigandPNGBDBM50614230(CHEMBL5284353)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human ERG by automated patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetNeutrophil elastase(Human)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096724((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Aminooxalyl-pent...)
Affinity DataIC50:  1.20E+4nMAssay Description:Compound was tested for inhibition of ElastaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM50614230(CHEMBL5284353)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetCytochrome P450 2B6(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM50614230(CHEMBL5284353)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C8(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM50614230(CHEMBL5284353)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM50614230(CHEMBL5284353)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C19(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM50614230(CHEMBL5284353)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using s-mephenytoin as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM50614230(CHEMBL5284353)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM50614230(CHEMBL5284353)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM50614230(CHEMBL5284353)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM391726(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 11 |...)
Affinity DataIC50: <5.01E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C9(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM391726(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 11 |...)
Affinity DataIC50: <5.01E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C8(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM391726(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 11 |...)
Affinity DataIC50: <5.01E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2D6(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM391726(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 11 |...)
Affinity DataIC50: <5.01E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 2C19(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM391726(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 11 |...)
Affinity DataIC50: <5.01E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Sosei Heptares

Curated by ChEMBL
LigandPNGBDBM391726(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 11 |...)
Affinity DataIC50: <5.01E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTrypsin(Human)
Roche Discover Welwyn

Curated by ChEMBL
LigandPNGBDBM50096724((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Aminooxalyl-pent...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibitory activity against Opioid receptor mu 1 of (endomorphin 2) in guinea pig ileum was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50343360(4-Chloro-6-(2-methoxyphenyl)-pyrimidin-2-ylamine |...)
Affinity DataKd:  350nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482745(CHEMBL1253265)
Affinity DataKd:  36nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482746(CHEMBL1253266)
Affinity DataKd:  83nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482747(CHEMBL1253268)
Affinity DataKd:  48nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482748(CHEMBL1253286)
Affinity DataKd:  28nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482749(CHEMBL1253307)
Affinity DataKd:  7.00E+3nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482750(CHEMBL1253308)
Affinity DataKd:  8.60E+3nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482751(CHEMBL1253309)
Affinity DataKd:  5.10E+4nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50440379(CHEMBL1236798)
Affinity DataKd:  2.50E+5nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482752(Clairvan | Etamivan | Ethamivan | Vandid)
Affinity DataKd:  7.90E+5nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482753(CHEMBL1253287)
Affinity DataKd:  1.13E+6nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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