BDBM196650 US9212144, 13 (Ex. 30)

SMILES: CCC(NC(C)c1ccc2nc(N)ccc2c1)c1cccc(F)c1

InChI Key: InChIKey=YWEIGVZUODNNNR-UHFFFAOYSA-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 = 196650   

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
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM196650 (US9212144, 13 (Ex. 30)) Show SMILES CCC(NC(C)c1ccc2nc(N)ccc2c1)c1cccc(F)c1 Show InChI InChI=1S/C20H22FN3/c1-3-18(15-5-4-6-17(21)12-15)23-13(2)14-7-9-19-16(11-14)8-10-20(22)24-19/h4-13,18,23H,3H2,1-2H3,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Northwestern University US Patent					Assay Description To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES b...				US Patent US9212144 (2015) BindingDB Entry DOI: 10.7270/Q2K0732P
					More data for this Ligand-Target Pair