BDBM120151 US8697696, 8

SMILES: Cc1nnn(c1\C=C\c1nc(C)c(s1)C(=O)NC1CCOCC1)-c1ccc(F)cc1

InChI Key: InChIKey=OSWWCYMRVZFEJV-BQYQJAHWSA-N

Data: 1 KI

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 = 120151   

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
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A)) (Homo sapiens (Human))	BDBM120151 (US8697696, 8) Show SMILES Cc1nnn(c1\C=C\c1nc(C)c(s1)C(=O)NC1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H22FN5O2S/c1-13-18(27(26-25-13)17-5-3-15(22)4-6-17)7-8-19-23-14(2)20(30-19)21(28)24-16-9-11-29-12-10-16/h3-8,16H,9-12H2,1-2H3,(H,24,28)/b8-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.60	-10.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell membranes, [3H]flumazenil at a conc...				US Patent US8697696 (2014) BindingDB Entry DOI: 10.7270/Q2DB80HJ
					More data for this Ligand-Target Pair