BDBM319582 US10174007, Example 1::US10787438, Example 1::US10988463, Example 1
SMILES: C[C@H]1[C@H](O)CN1c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1
InChI Key: InChIKey=BMYWDILFDVCFJX-GMEDAVPMSA-N
Data: 12 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ketohexokinase (Homo sapiens (Human)) | BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. US Patent | Assay Description A 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepared in DM... | US Patent US10174007 (2019) BindingDB Entry DOI: 10.7270/Q20867DX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ketohexokinase (Homo sapiens (Human)) | BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. US Patent | Assay Description Compounds having an IC50 value less than 20 nM were examined in a second KHK assay, referred to as Assay B, using 10-fold less enzyme and measuring a... | US Patent US10174007 (2019) BindingDB Entry DOI: 10.7270/Q20867DX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ketohexokinase (Homo sapiens (Human)) | BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. US Patent | Assay Description A third KHK assay, referred to as Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physi... | US Patent US10174007 (2019) BindingDB Entry DOI: 10.7270/Q20867DX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ketohexokinase (Homo sapiens (Human)) | BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. US Patent | Assay Description A fourth assay, referred to as Assay D, was performed using human KHK-A to assess the potency of compounds in inhibiting activity of this enzyme. Com... | US Patent US10174007 (2019) BindingDB Entry DOI: 10.7270/Q20867DX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ketohexokinase (Homo sapiens (Human)) | BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. US Patent | Assay Description Assay A, a 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepa... | US Patent US10787438 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ketohexokinase (Homo sapiens (Human)) | BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. US Patent | Assay Description Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were ... | US Patent US10787438 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ketohexokinase (Homo sapiens (Human)) | BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ketohexokinase (Peripheral) (Homo sapiens (Human)) | BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. US Patent | Assay Description Assay D, was performed using human KHK-A to assess the potency of compounds in inhibiting activity of this enzyme. Compounds were prepared in DMSO as... | US Patent US10787438 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ketohexokinase (Homo sapiens (Human)) | BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. US Patent | Assay Description Assay A, a 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepa... | US Patent US10988463 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ketohexokinase (Homo sapiens (Human)) | BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. US Patent | Assay Description Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were ... | US Patent US10988463 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ketohexokinase (Homo sapiens (Human)) | BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. US Patent | Assay Description Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physiological concentrations of the nat... | US Patent US10988463 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ketohexokinase (Peripheral) (Homo sapiens (Human)) | BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. US Patent | Assay Description Assay D, was performed using human KHK-A to assess the potency of compounds in inhibiting activity of this enzyme. Compounds were prepared in DMSO as... | US Patent US10988463 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ketohexokinase (Homo sapiens (Human)) | BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ketohexokinase (Homo sapiens (Human)) | BDBM319582 (US10174007, Example 1 | US10787438, Example 1 | US...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. US Patent | Assay Description Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physiological concentrations of the nat... | US Patent US10787438 (2020) | |||||||||||
More data for this Ligand-Target Pair |