BDBM50255152 CHEMBL520099::N1-(((+/-)-4'-[(2''-Amino-6''-methylpyridin-4''-yl)methyl]pyrrolidin-3'-yl)-N2-(3'-fluorophenethyl)ethane-1,2-diamine Tetrahydrochloride

SMILES: Cc1cc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)cc(N)n1

InChI Key: InChIKey=XWUXWXKCZGELTA-AZUAARDMSA-N

Data: 3 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 3 hits for monomerid = 50255152   

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))	BDBM50255152 (CHEMBL520099 | N1-(((+/-)-4'-[(2''-Amino-6''-methy...) Show SMILES Cc1cc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)cc(N)n1 |r| Show InChI InChI=1S/C21H30FN5/c1-15-9-17(12-21(23)27-15)10-18-13-25-14-20(18)26-8-7-24-6-5-16-3-2-4-19(22)11-16/h2-4,9,11-12,18,20,24-26H,5-8,10,13-14H2,1H3,(H2,23,27)/t18-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	551	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 by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50255152 (CHEMBL520099 | N1-(((+/-)-4'-[(2''-Amino-6''-methy...) Show SMILES Cc1cc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)cc(N)n1 |r| Show InChI InChI=1S/C21H30FN5/c1-15-9-17(12-21(23)27-15)10-18-13-25-14-20(18)26-8-7-24-6-5-16-3-2-4-19(22)11-16/h2-4,9,11-12,18,20,24-26H,5-8,10,13-14H2,1H3,(H2,23,27)/t18-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	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 mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50255152 (CHEMBL520099 | N1-(((+/-)-4'-[(2''-Amino-6''-methy...) Show SMILES Cc1cc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)cc(N)n1 |r| Show InChI InChI=1S/C21H30FN5/c1-15-9-17(12-21(23)27-15)10-18-13-25-14-20(18)26-8-7-24-6-5-16-3-2-4-19(22)11-16/h2-4,9,11-12,18,20,24-26H,5-8,10,13-14H2,1H3,(H2,23,27)/t18-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.64E+5	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 bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair