BDBM50445242 CHEMBL3102941

SMILES: COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3ccccc3)c2c1

InChI Key: InChIKey=PTKRZXHHLCHSFE-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50445242   

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
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50445242 (CHEMBL3102941) Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3ccccc3)c2c1 Show InChI InChI=1S/C21H18N2O2/c1-24-19-9-8-15(11-20(19)25-2)16-10-17-18(13-23-21(17)22-12-16)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Displacement of tracer 222 from GST-tagged recombinant human AAK1 catalytic domain (1 to 510 amino acids) expressed in insect cells shaken for 30 sec...				J Med Chem 62: 5810-5831 (2019) Article DOI: 10.1021/acs.jmedchem.9b00136
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A (RAT)	BDBM50445242 (CHEMBL3102941) Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3ccccc3)c2c1 Show InChI InChI=1S/C21H18N2O2/c1-24-19-9-8-15(11-20(19)25-2)16-10-17-18(13-23-21(17)22-12-16)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
UPR 2301, CNRS Curated by ChEMBL					Assay Description Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein c...				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