BDBM50505819 CHEMBL4560698
SMILES: CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCCO)c(F)c2)ncc1C
InChI Key: InChIKey=BAHGOININFNXCT-UHFFFAOYSA-N
Data: 5 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 |
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Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50505819 (CHEMBL4560698) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) | J Med Chem 62: 10305-10320 (2019) Article DOI: 10.1021/acs.jmedchem.9b01348 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM50505819 (CHEMBL4560698) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of human FLT3 (564 to end residues) using EAIYAAPFAKKK as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting ... | J Med Chem 62: 10305-10320 (2019) Article DOI: 10.1021/acs.jmedchem.9b01348 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM50505819 (CHEMBL4560698) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of human JAK3 (781 to end residues) using GGEEEEYFELVKK as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting... | J Med Chem 62: 10305-10320 (2019) Article DOI: 10.1021/acs.jmedchem.9b01348 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM50505819 (CHEMBL4560698) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of human JAK2 (808 to end residues) using KTFCGTPEYLAP as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting ... | J Med Chem 62: 10305-10320 (2019) Article DOI: 10.1021/acs.jmedchem.9b01348 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM50505819 (CHEMBL4560698) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital of Sichuan University Curated by ChEMBL | Assay Description Inhibition of human JAK1 (866 to end residues) GEEPLYWSFPAKK as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting based... | J Med Chem 62: 10305-10320 (2019) Article DOI: 10.1021/acs.jmedchem.9b01348 | |||||||||||
More data for this Ligand-Target Pair |