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SMILES: C[C@H]1CCN1c1nc(C(F)F)c(Cl)c(n1)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1
InChI Key: InChIKey=AFUXAZPXNHXKOK-AATLWQCWSA-N
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)) | BDBM319601 (US10174007, Example 40 | US10787438, Example 40 | ...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 11.1 | 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)) | BDBM319601 (US10174007, Example 40 | US10787438, Example 40 | ...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3.70 | 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 | |||||||||||||
Isoform A of Ketohexokinase (Peripheral) (Homo sapiens (Human)) | BDBM319601 (US10174007, Example 40 | US10787438, Example 40 | ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 37.9 | 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)) | BDBM319601 (US10174007, Example 40 | US10787438, Example 40 | ...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 11.1 | 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)) | BDBM319601 (US10174007, Example 40 | US10787438, Example 40 | ...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3.70 | 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)) | BDBM319601 (US10174007, Example 40 | US10787438, Example 40 | ...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 37.9 | 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 |