BDBM50251458 CHEMBL4087456

SMILES: Nc1nccc(n1)-c1c[nH]c2cc(ccc12)C(F)(F)F

InChI Key: InChIKey=GCGXHAKRBPWATQ-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 = 50251458   

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))	BDBM50251458 (CHEMBL4087456) Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C13H9F3N4/c14-13(15,16)7-1-2-8-9(6-19-11(8)5-7)10-3-4-18-12(17)20-10/h1-6,19H,(H2,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged Dyrk1a expressed in baculovirus expression system using Alexa-Fluor tracer-236 incubated for 6...				Bioorg Med Chem Lett 27: 2617-2621 (2017) Article DOI: 10.1016/j.bmcl.2017.03.037 BindingDB Entry DOI: 10.7270/Q2SN0CFP
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50251458 (CHEMBL4087456) Show SMILES Nc1nccc(n1)-c1c[nH]c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C13H9F3N4/c14-13(15,16)7-1-2-8-9(6-19-11(8)5-7)10-3-4-18-12(17)20-10/h1-6,19H,(H2,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged GSK3B recombinant in baculovirus expression system using Alexa-Fluor tracer-236 incubated for ...				Bioorg Med Chem Lett 27: 2617-2621 (2017) Article DOI: 10.1016/j.bmcl.2017.03.037 BindingDB Entry DOI: 10.7270/Q2SN0CFP
					More data for this Ligand-Target Pair