BDBM50444363 CHEMBL3094464
SMILES: COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)N3CCc4ccccc4C3)c(=O)[nH]c2n1
InChI Key: InChIKey=XFXMKQIXGVZQIA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50444363 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 |
Dual-specificity tyrosine-regulated kinases 1B
(Homo sapiens (Human)) | BDBM50444363
(CHEMBL3094464)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)N3CCc4ccccc4C3)c(=O)[nH]c2n1 Show InChI InChI=1S/C25H20ClN5O4/c1-35-25-27-12-17-10-18(23(33)29-21(17)30-25)22(32)28-20-11-15(6-7-19(20)26)24(34)31-9-8-14-4-2-3-5-16(14)13-31/h2-7,10-12H,8-9,13H2,1H3,(H,28,32)(H,27,29,30,33) | UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of DYRK1B (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055 BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this Ligand-Target Pair | |
Dual-specificity tyrosine-phosphorylation regulated kinase 1A
(Homo sapiens (Human)) | BDBM50444363
(CHEMBL3094464)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)N3CCc4ccccc4C3)c(=O)[nH]c2n1 Show InChI InChI=1S/C25H20ClN5O4/c1-35-25-27-12-17-10-18(23(33)29-21(17)30-25)22(32)28-20-11-15(6-7-19(20)26)24(34)31-9-8-14-4-2-3-5-16(14)13-31/h2-7,10-12H,8-9,13H2,1H3,(H,28,32)(H,27,29,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of DYRK1A (unknown origin) |
Bioorg Med Chem Lett 23: 6610-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.055 BindingDB Entry DOI: 10.7270/Q20G3MNJ |
More data for this Ligand-Target Pair | |