BDBM50325184 6-(((3R,4R/3S,4S)-4-(3-(4-Fluoro-3-methylphenoxy)-phenoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine::CHEMBL1222676

SMILES: Cc1cc(Oc2cccc(O[C@H]3CNC[C@H]3Cc3cccc(N)n3)c2)ccc1F

InChI Key: InChIKey=UMNBPZTVSUHLQZ-ZHRRBRCNSA-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 = 50325184   

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))	BDBM50325184 (6-(((3R,4R/3S,4S)-4-(3-(4-Fluoro-3-methylphenoxy)-...) Show SMILES Cc1cc(Oc2cccc(O[C@H]3CNC[C@H]3Cc3cccc(N)n3)c2)ccc1F |r| Show InChI InChI=1S/C23H24FN3O2/c1-15-10-20(8-9-21(15)24)28-18-5-3-6-19(12-18)29-22-14-26-13-16(22)11-17-4-2-7-23(25)27-17/h2-10,12,16,22,26H,11,13-14H2,1H3,(H2,25,27)/t16-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+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 by hemoglobin capture assay				Bioorg Med Chem 18: 6526-37 (2010) Article DOI: 10.1016/j.bmc.2010.06.074 BindingDB Entry DOI: 10.7270/Q26110HX
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50325184 (6-(((3R,4R/3S,4S)-4-(3-(4-Fluoro-3-methylphenoxy)-...) Show SMILES Cc1cc(Oc2cccc(O[C@H]3CNC[C@H]3Cc3cccc(N)n3)c2)ccc1F |r| Show InChI InChI=1S/C23H24FN3O2/c1-15-10-20(8-9-21(15)24)28-18-5-3-6-19(12-18)29-22-14-26-13-16(22)11-17-4-2-7-23(25)27-17/h2-10,12,16,22,26H,11,13-14H2,1H3,(H2,25,27)/t16-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+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 bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay				Bioorg Med Chem 18: 6526-37 (2010) Article DOI: 10.1016/j.bmc.2010.06.074 BindingDB Entry DOI: 10.7270/Q26110HX
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50325184 (6-(((3R,4R/3S,4S)-4-(3-(4-Fluoro-3-methylphenoxy)-...) Show SMILES Cc1cc(Oc2cccc(O[C@H]3CNC[C@H]3Cc3cccc(N)n3)c2)ccc1F |r| Show InChI InChI=1S/C23H24FN3O2/c1-15-10-20(8-9-21(15)24)28-18-5-3-6-19(12-18)29-22-14-26-13-16(22)11-17-4-2-7-23(25)27-17/h2-10,12,16,22,26H,11,13-14H2,1H3,(H2,25,27)/t16-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.91E+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				Bioorg Med Chem 18: 6526-37 (2010) Article DOI: 10.1016/j.bmc.2010.06.074 BindingDB Entry DOI: 10.7270/Q26110HX
					More data for this Ligand-Target Pair