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BDBM315702 US10172859, Example 126::US10172859, Example 127::US10172859, Example 128::US9732094, Example 128::[2-Chloro-4-fluoro- 5-(6-morpholin-4- ylthieno[3,2-d}- pyrimidin-4-yl)- phenyl]-(6- methoxy- pyridazin-3-yl)- methanol (Ena 2)1H NMR (500 MHz, DMSO-d6) ppm = 8.90 (s,1H), 8.00 (d, J = 7.9, 1H), 7.69 (d, J = 9.2, 1H),7.66 (d, J = 10.0, 1H), 7.22 (d, J = 9.2, 1H), 6.62(d, J = 4.9, 1H), 6.54 (s, 1H), 6.22 (d, J = 4.9,1H), 3.99 (s, 3H), 3.77-3.72 (m, 4H), 3.45-3.39 (m, 4H)
SMILES: COc1ccc(nn1)C(O)c1cc(c(F)cc1Cl)-c1ncnc2cc(sc12)N1CCOCC1
InChI Key: InChIKey=PIPPQGLJMKVPBT-UHFFFAOYSA-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem | US Patent | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH US Patent | Assay Description Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re... | US Patent US10172859 (2019) BindingDB Entry DOI: 10.7270/Q23B626S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH US Patent | Assay Description The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ... | US Patent US9732094 (2017) BindingDB Entry DOI: 10.7270/Q2J67K1S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH US Patent | Assay Description The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ... | US Patent US9732094 (2017) BindingDB Entry DOI: 10.7270/Q2J67K1S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH US Patent | Assay Description Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re... | US Patent US10172859 (2019) BindingDB Entry DOI: 10.7270/Q23B626S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH US Patent | Assay Description The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ... | US Patent US9732094 (2017) BindingDB Entry DOI: 10.7270/Q2J67K1S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH US Patent | Assay Description Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re... | US Patent US10172859 (2019) BindingDB Entry DOI: 10.7270/Q23B626S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH US Patent | Assay Description The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 ug of DNA-PK/protein complex and 100 ng of ... | US Patent US9732094 (2017) BindingDB Entry DOI: 10.7270/Q2J67K1S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH US Patent | Assay Description The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 μg of DNA-PK/protein complex and 100 n... | US Patent US10172859 (2019) BindingDB Entry DOI: 10.7270/Q23B626S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH US Patent | Assay Description The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 ug of DNA-PK/protein complex and 100 ng of ... | US Patent US9732094 (2017) BindingDB Entry DOI: 10.7270/Q2J67K1S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH US Patent | Assay Description The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 μg of DNA-PK/protein complex and 100 n... | US Patent US10172859 (2019) BindingDB Entry DOI: 10.7270/Q23B626S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH US Patent | Assay Description The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 ug of DNA-PK/protein complex and 100 ng of ... | US Patent US9732094 (2017) BindingDB Entry DOI: 10.7270/Q2J67K1S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Patent GmbH US Patent | Assay Description The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 μg of DNA-PK/protein complex and 100 n... | US Patent US10172859 (2019) BindingDB Entry DOI: 10.7270/Q23B626S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM315702 (US10172859, Example 126 | US10172859, Example 127 ...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
