BDBM50445253 CHEMBL1232500

SMILES: CCN1C(Sc2ccc(O)cc12)=CC(C)=O

InChI Key: InChIKey=GCSZJMUFYOAHFY-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50445253   

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 1A (Homo sapiens (Human))	BDBM50445253 (CHEMBL1232500) Show SMILES CCN1C(Sc2ccc(O)cc12)=CC(C)=O Show InChI InChI=1S/C12H13NO2S/c1-3-13-10-7-9(15)4-5-11(10)16-12(13)6-8(2)14/h4-7,15H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
India Academy of Scientific & Innovative Research (AcSIR) Curated by ChEMBL					Assay Description Inhibition of Dyrk1A (unknown origin)				Bioorg Med Chem Lett 25: 2948-52 (2015) Article DOI: 10.1016/j.bmcl.2015.05.034 BindingDB Entry DOI: 10.7270/Q21V5GR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50445253 (CHEMBL1232500) Show SMILES CCN1C(Sc2ccc(O)cc12)=CC(C)=O Show InChI InChI=1S/C12H13NO2S/c1-3-13-10-7-9(15)4-5-11(10)16-12(13)6-8(2)14/h4-7,15H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GST-tagged DYRK1A expressed in baculovirus expression system after 10 mins in presence of [gamma33P-ATP] ...				J Med Chem 61: 9791-9810 (2018) BindingDB Entry DOI: 10.7270/Q2H41V3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50445253 (CHEMBL1232500) Show SMILES CCN1C(Sc2ccc(O)cc12)=CC(C)=O Show InChI InChI=1S/C12H13NO2S/c1-3-13-10-7-9(15)4-5-11(10)16-12(13)6-8(2)14/h4-7,15H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Competitive inhibition of DYRK1A (unknown origin) using ATP				J Med Chem 56: 9569-85 (2014) Article DOI: 10.1021/jm401049v BindingDB Entry DOI: 10.7270/Q2BG2QFT
					More data for this Ligand-Target Pair				3D Structure (crystal)