BDBM50456452 CHEMBL4213079

SMILES: FC(F)(F)Oc1ccc2NC(=O)\C(=N\N(c3ccccc3)c3ccccc3)c2c1

InChI Key: InChIKey=QGDIQJBZLPRZSM-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 = 50456452   

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
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM50456452 (CHEMBL4213079) Show SMILES FC(F)(F)Oc1ccc2NC(=O)\C(=N\N(c3ccccc3)c3ccccc3)c2c1 Show InChI InChI=1S/C21H14F3N3O2/c22-21(23,24)29-16-11-12-18-17(13-16)19(20(28)25-18)26-27(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC Curated by ChEMBL					Assay Description Inhibition of recombinant catalytic human GST-tagged LLRK2 (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substr...				Eur J Med Chem 138: 328-342 (2017) Article DOI: 10.1016/j.ejmech.2017.06.060 BindingDB Entry DOI: 10.7270/Q2V40XTP
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM50456452 (CHEMBL4213079) Show SMILES FC(F)(F)Oc1ccc2NC(=O)\C(=N\N(c3ccccc3)c3ccccc3)c2c1 Show InChI InChI=1S/C21H14F3N3O2/c22-21(23,24)29-16-11-12-18-17(13-16)19(20(28)25-18)26-27(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC Curated by ChEMBL					Assay Description Inhibition of recombinant catalytic human GST-tagged LLRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus expression system using LRRK...				Eur J Med Chem 138: 328-342 (2017) Article DOI: 10.1016/j.ejmech.2017.06.060 BindingDB Entry DOI: 10.7270/Q2V40XTP
					More data for this Ligand-Target Pair