BDBM335593 3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino)-5-(2-isopropyl-2H-tetrazol-5-yl)phenol::US9737542, Example 36
SMILES: CC(C)n1nnc(n1)-c1cc(O)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1
InChI Key: InChIKey=CNACSDYVLFCDEW-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AP2-associated protein kinase 1 (Homo sapiens (Human)) | BDBM335593 (3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
KU Leuven Curated by ChEMBL | Assay Description Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in bacterial expression system using 5-FAM-Aha-KEEQSQITSQVTGQIGWR-NH2 a... | J Med Chem 62: 5810-5831 (2019) Article DOI: 10.1021/acs.jmedchem.9b00136 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
AP2-associated protein kinase 1 (Homo sapiens (Human)) | BDBM335593 (3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | US Patent | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company US Patent | Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra... | US Patent US9737542 (2017) BindingDB Entry DOI: 10.7270/Q2N018NQ | |||||||||||
More data for this Ligand-Target Pair |