BDBM50444375 CHEMBL3094452
SMILES: COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NCc3ccsc3)c(=O)[nH]c2n1
InChI Key: InChIKey=RQFGUPSBOAVFSQ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50444375 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)) | BDBM50444375
(CHEMBL3094452)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NCc3ccsc3)c(=O)[nH]c2n1 Show InChI InChI=1S/C21H16ClN5O4S/c1-31-21-24-9-13-6-14(20(30)26-17(13)27-21)19(29)25-16-7-12(2-3-15(16)22)18(28)23-8-11-4-5-32-10-11/h2-7,9-10H,8H2,1H3,(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 | 40 | 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)) | BDBM50444375
(CHEMBL3094452)Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NCc3ccsc3)c(=O)[nH]c2n1 Show InChI InChI=1S/C21H16ClN5O4S/c1-31-21-24-9-13-6-14(20(30)26-17(13)27-21)19(29)25-16-7-12(2-3-15(16)22)18(28)23-8-11-4-5-32-10-11/h2-7,9-10H,8H2,1H3,(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 | 30 | 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 | |
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