BDBM360689 US9828381, 2-7

SMILES: CC(c1cc2nc(C)cc(N3CCCC(F)(F)C3)n2n1)c1ccc(Cl)cc1

InChI Key: InChIKey=ZYXSAMDZDDJBLD-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 360689   

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
GABA B receptor (Rattus norvegicus)	BDBM360689 (US9828381, 2-7) Show SMILES CC(c1cc2nc(C)cc(N3CCCC(F)(F)C3)n2n1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClF2N4/c1-13-10-19(26-9-3-8-20(22,23)12-26)27-18(24-13)11-17(25-27)14(2)15-4-6-16(21)7-5-15/h4-7,10-11,14H,3,8-9,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	185	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG; AbbVie Inc. US Patent					Assay Description The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...				US Patent US9828381 (2017) BindingDB Entry DOI: 10.7270/Q21C205Q
					More data for this Ligand-Target Pair