BDBM50444376 CHEMBL3094451
SMILES: COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NCc3cccs3)c(=O)[nH]c2n1
InChI Key: InChIKey=PCIQNDJCGPAWGK-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50444376 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-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50444376
(CHEMBL3094451)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NCc3cccs3)c(=O)[nH]c2n1 Show InChI InChI=1S/C21H16ClN5O4S/c1-31-21-24-9-12-7-14(20(30)26-17(12)27-21)19(29)25-16-8-11(4-5-15(16)22)18(28)23-10-13-3-2-6-32-13/h2-9H,10H2,1H3,(H,23,28)(H,25,29)(H,24,26,27,30) | UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 96 | 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)) | BDBM50444376
(CHEMBL3094451)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NCc3cccs3)c(=O)[nH]c2n1 Show InChI InChI=1S/C21H16ClN5O4S/c1-31-21-24-9-12-7-14(20(30)26-17(12)27-21)19(29)25-16-8-11(4-5-15(16)22)18(28)23-10-13-3-2-6-32-13/h2-9H,10H2,1H3,(H,23,28)(H,25,29)(H,24,26,27,30) | 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 | 41 | 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 | |