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BDBM375513 (4-(3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone::US9908886, Example 54
SMILES: CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
InChI Key: InChIKey=PEHQJHHHTXOGJK-UHFFFAOYSA-N
Data: 7 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human)) | BDBM375513 ((4-(3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet  | PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi | Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro... | J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM375513 ((4-(3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi | Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro... | J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM375513 ((4-(3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition measured after 5 mins ... | J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| MAP kinase-interacting serine/threonine-protein kinase 1/2 (Homo sapiens (Human)) | BDBM375513 ((4-(3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 326 | n/a | n/a | n/a | n/a | n/a | n/a |
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL | Assay Description Inhibition of MNK1/2 in human HeLa cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by AlphaScreen assay | J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM375513 ((4-(3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL | Assay Description Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat... | J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM375513 ((4-(3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS ana... | J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human)) | BDBM375513 ((4-(3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Agency for Science, Technology and Research (A*STAR) Curated by ChEMBL | Assay Description Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubat... | J Med Chem 61: 4348-4369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01714 BindingDB Entry DOI: 10.7270/Q20004P7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
