BDBM396894 US9981950, Example 101

SMILES: OCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1

InChI Key: InChIKey=CQYRYSJJBAIWRQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 396894   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM396894 (US9981950, Example 101) Show SMILES OCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1 Show InChI InChI=1S/C15H14F3N5O2/c16-12-2-1-11(7-13(12)25-15(17)18)23-9-10(20-21-23)8-22-5-4-19-14(22)3-6-24/h1-2,4-5,7,9,15,24H,3,6,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.26	n/a	n/a	n/a	n/a	n/a	n/a
Anadys Pharmaceuticals					Assay Description Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were w...				Bioorg Med Chem Lett 19: 451-8 (2009) BindingDB Entry DOI: 10.7270/Q2TH8Q1D
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM396894 (US9981950, Example 101) Show SMILES OCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1 Show InChI InChI=1S/C15H14F3N5O2/c16-12-2-1-11(7-13(12)25-15(17)18)23-9-10(20-21-23)8-22-5-4-19-14(22)3-6-24/h1-2,4-5,7,9,15,24H,3,6,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description TBD				Bioorg Med Chem Lett 18: 3168-72 (2008) BindingDB Entry DOI: 10.7270/Q2JW8H7X
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM396894 (US9981950, Example 101) Show SMILES OCCc1nccn1Cc1cn(nn1)-c1ccc(F)c(OC(F)F)c1 Show InChI InChI=1S/C15H14F3N5O2/c16-12-2-1-11(7-13(12)25-15(17)18)23-9-10(20-21-23)8-22-5-4-19-14(22)3-6-24/h1-2,4-5,7,9,15,24H,3,6,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissect...				Bioorg Med Chem Lett 18: 3168-72 (2008) BindingDB Entry DOI: 10.7270/Q2JW8H7X
					More data for this Ligand-Target Pair