BDBM50449041 CHEMBL3126207::US9212144, 12 (Ex. 29)

SMILES: Nc1ccc2cc(CCNCCc3cccc(F)c3)ccc2n1

InChI Key: InChIKey=WFROSEOAYDHZHJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50449041   

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))	BDBM50449041 (CHEMBL3126207 | US9212144, 12 (Ex. 29)) Show SMILES Nc1ccc2cc(CCNCCc3cccc(F)c3)ccc2n1 Show InChI InChI=1S/C19H20FN3/c20-17-3-1-2-14(13-17)8-10-22-11-9-15-4-6-18-16(12-15)5-7-19(21)23-18/h1-7,12-13,22H,8-11H2,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assay				J Med Chem 57: 1513-30 (2014) Article DOI: 10.1021/jm401838x BindingDB Entry DOI: 10.7270/Q2MP54SZ
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50449041 (CHEMBL3126207 | US9212144, 12 (Ex. 29)) Show SMILES Nc1ccc2cc(CCNCCc3cccc(F)c3)ccc2n1 Show InChI InChI=1S/C19H20FN3/c20-17-3-1-2-14(13-17)8-10-22-11-9-15-4-6-18-16(12-15)5-7-19(21)23-18/h1-7,12-13,22H,8-11H2,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>5.70E+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