BDBM50444379 CHEMBL3094448
SMILES: COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NCc3cccc(Cl)c3)c(=O)[nH]c2n1
InChI Key: InChIKey=CQKBSRPVZZLCJE-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50444379 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)) | BDBM50444379
(CHEMBL3094448)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NCc3cccc(Cl)c3)c(=O)[nH]c2n1 Show InChI InChI=1S/C23H17Cl2N5O4/c1-34-23-27-11-14-8-16(22(33)29-19(14)30-23)21(32)28-18-9-13(5-6-17(18)25)20(31)26-10-12-3-2-4-15(24)7-12/h2-9,11H,10H2,1H3,(H,26,31)(H,28,32)(H,27,29,30,33) | UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 68 | 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)) | BDBM50444379
(CHEMBL3094448)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NCc3cccc(Cl)c3)c(=O)[nH]c2n1 Show InChI InChI=1S/C23H17Cl2N5O4/c1-34-23-27-11-14-8-16(22(33)29-19(14)30-23)21(32)28-18-9-13(5-6-17(18)25)20(31)26-10-12-3-2-4-15(24)7-12/h2-9,11H,10H2,1H3,(H,26,31)(H,28,32)(H,27,29,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | 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 | |