BDBM50448118 CHEMBL3122113::US10590114, No. 80::US9932325, Example 80
SMILES: CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
InChI Key: InChIKey=ZPPUMAMZIMPJGP-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of LRRK2 (unknown origin) | J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein kinase TTK (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of TTK (unknown origin) | J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well... | Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q29G5Q4M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well... | Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q29G5Q4M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well... | Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q29G5Q4M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Denali Therapautics Inc. US Patent | Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well... | US Patent US10590114 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well... | Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q29G5Q4M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well... | Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q29G5Q4M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Denali Therapautics Inc. US Patent | Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well... | US Patent US10590114 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Denali Therapautics Inc. US Patent | Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well... | US Patent US10590114 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Denali Therapautics Inc. US Patent | Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well... | US Patent US10590114 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Denali Therapautics Inc. US Patent | Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well... | US Patent US10590114 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Denali Therapautics Inc. US Patent | Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well... | US Patent US10590114 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Reversible inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by mass spectrophotometric analysis | J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of LRRK2 (unknown origin) phosphorylation by cell-based assay | J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S (Homo sapiens (Human)) | BDBM50448118 (CHEMBL3122113 | US10590114, No. 80 | US9932325, Ex...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well... | Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q29G5Q4M | |||||||||||
More data for this Ligand-Target Pair |